CHEMBL5113 Ki
BioactivityChEMBL CHEMBL5113 Ki bioactivity data
1308 compounds · Target: Orexin/Hypocretin receptor type 1 ( CHEMBL5113 ↗ ) · UniProt: O43613 ↗ · Ki
Orexin/Hypocretin receptor type 1, a molecular target studied in Homo sapiens.
| ID ↑ | SMILES | Target | Activity (nM) | Type | Ref | Link | |
|---|---|---|---|---|---|---|---|
|
34507 ↗ |
COc1ccc(CNC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cnc2-c2cccnc2)cc1OC
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
94.50 | Ki | CHEMBL3099899 | ChEMBL ↗ |
|
42407 ↗ |
COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
1.30×103 | Ki | CHEMBL3798017 | ChEMBL ↗ |
|
53564 ↗ |
Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
15.95 | Ki | CHEMBL291536 | ChEMBL ↗ |
|
63159 ↗ |
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CCC2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
218.00 | Ki | CHEMBL5185211 | ChEMBL ↗ |
|
63172 ↗ |
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
30.50 | Ki | CHEMBL5188658 | ChEMBL ↗ |
|
65580 ↗ |
COc1c(F)cccc1C(=O)N1C[C@@H](C)CC[C@H]1CNc1ccc(Br)cn1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
2.00 | Ki | CHEMBL2413522 | ChEMBL ↗ |
|
69161 ↗ |
Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
5.85 | Ki | CHEMBL3545367 | ChEMBL ↗ |
|
69207 ↗ |
Cc1ncc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
137.00 | Ki | CHEMBL3585946 | ChEMBL ↗ |
|
69208 ↗ |
Cc1ncc(OC[C@@]2(c3ccccc3F)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
81.00 | Ki | CHEMBL3585953 | ChEMBL ↗ |
|
69209 ↗ |
Cc1ncc(OC[C@@]2(c3ccc(F)cc3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
39.00 | Ki | CHEMBL3585954 | ChEMBL ↗ |
|
69210 ↗ |
Cc1ncc(OC[C@@]2(c3cc(F)cc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
7.00 | Ki | CHEMBL3585955 | ChEMBL ↗ |
|
69211 ↗ |
Cc1ncc(OC[C@@]2(c3ccc(F)c(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
14.00 | Ki | CHEMBL3585956 | ChEMBL ↗ |
|
69213 ↗ |
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-n4nccn4)C[C@H]3C2)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
2.28×103 | Ki | CHEMBL3586433 | ChEMBL ↗ |
|
69214 ↗ |
Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(C)cccc4-n4nccn4)C[C@H]3C2)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
346.00 | Ki | CHEMBL3586440 | ChEMBL ↗ |
|
69215 ↗ |
COc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
5.75×103 | Ki | CHEMBL3586441 | ChEMBL ↗ |
|
169800 ↗ |
C[C@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
54.00 | Ki | CHEMBL1082414 | ChEMBL ↗ |
|
169801 ↗ |
C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
1.80 | Ki | CHEMBL1083041 | ChEMBL ↗ |
|
169802 ↗ |
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
390.00×10-3 | Ki | CHEMBL1083357 | ChEMBL ↗ |
|
169803 ↗ |
C[C@@H]1CCN(c2ncc3c(n2)CCCC3)CCN1C(=O)c1ccccc1-n1nccn1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
780.00×10-3 | Ki | CHEMBL1083657 | ChEMBL ↗ |
|
169804 ↗ |
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4ccccc4o3)CC[C@H]2C)c1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
4.10 | Ki | CHEMBL1083658 | ChEMBL ↗ |
|
169805 ↗ |
C[C@@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
6.20 | Ki | CHEMBL1084949 | ChEMBL ↗ |
|
169806 ↗ |
Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
23.56 | Ki | CHEMBL1334465 | ChEMBL ↗ |
|
169807 ↗ |
COc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
6.70×103 | Ki | CHEMBL1481561 | ChEMBL ↗ |
|
169810 ↗ |
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccccc2)[C@H](c2ccccc2)O1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
501.19 | Ki | CHEMBL183421 | ChEMBL ↗ |
|
169816 ↗ |
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2ccsc2)[C@H](c2ccccc2)O1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
2.00×103 | Ki | CHEMBL184596 | ChEMBL ↗ |
|
169822 ↗ |
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccc(Cl)c2)[C@H](c2ccccc2)O1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
501.19 | Ki | CHEMBL185131 | ChEMBL ↗ |
|
169823 ↗ |
CC1(C)OC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccccc2)O1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
2.51×103 | Ki | CHEMBL185136 | ChEMBL ↗ |
|
169826 ↗ |
CC1(C)OC[C@H](NC(=O)Nc2ccccc2-c2cccs2)[C@H](c2ccccc2)O1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
1.00×103 | Ki | CHEMBL185424 | ChEMBL ↗ |
|
169828 ↗ |
Cc1ccc(-c2ncccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
2.53 | Ki | CHEMBL2107822 | ChEMBL ↗ |
|
169830 ↗ |
[3H]c1ccc(CN(CC)C(=O)CN(c2ccc(OC([3H])([3H])[3H])nc2)S(=O)(=O)c2ccccc2C)cn1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
900.00 | Ki | CHEMBL2385133 | ChEMBL ↗ |
|
169831 ↗ |
CCN(Cc1cccnc1)C(=O)CN(c1ccc(O[11CH3])nc1)S(=O)(=O)c1ccccc1C
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
900.00 | Ki | CHEMBL2385134 | ChEMBL ↗ |
|
169832 ↗ |
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3nccc4ccccc34)[C@@H]2C)c1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
500.00×10-3 | Ki | CHEMBL2413365 | ChEMBL ↗ |
|
169833 ↗ |
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](COc3ccccn3)[C@@H]2C)c1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
1.00 | Ki | CHEMBL2413366 | ChEMBL ↗ |
|
169834 ↗ |
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2[C@@H](C(=O)NC(C)C)c2ccccc2)cc1OC
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
6.00 | Ki | CHEMBL2413367 | ChEMBL ↗ |
|
169835 ↗ |
O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@H]2C1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
33.00 | Ki | CHEMBL2413511 | ChEMBL ↗ |
|
169836 ↗ |
Cc1noc(-c2ccccc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
1.42×103 | Ki | CHEMBL2413514 | ChEMBL ↗ |
|
169837 ↗ |
Cc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
4.36×103 | Ki | CHEMBL2413520 | ChEMBL ↗ |
|
169838 ↗ |
[3H]c1cccc([3H])c1-c1nnc(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2ccccc2F)o1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
1.10 | Ki | CHEMBL2413521 | ChEMBL ↗ |
|
169839 ↗ |
COc1ccc([C@]2(COc3cnc(C)nc3C)C[C@H]2C(=O)Nc2ccc(F)cn2)cc1F
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
30.00 | Ki | CHEMBL2425783 | ChEMBL ↗ |
|
169840 ↗ |
COc1cc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ncc1F
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
3.00 | Ki | CHEMBL2425784 | ChEMBL ↗ |
|
169841 ↗ |
COCc1nc(C)ncc1OC[C@@]1(c2cccc(F)c2)C[C@H]1C(=O)Nc1ccc(F)cn1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
1.00 | Ki | CHEMBL2425785 | ChEMBL ↗ |
|
169842 ↗ |
Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
32.00 | Ki | CHEMBL2425786 | ChEMBL ↗ |
|
169843 ↗ |
COc1nc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2cccc(F)c2)ccc1F
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
12.00 | Ki | CHEMBL2425787 | ChEMBL ↗ |
|
169844 ↗ |
COCc1nc(C)ncc1OC[C@@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)cn1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
9.00 | Ki | CHEMBL2425788 | ChEMBL ↗ |
|
169845 ↗ |
O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
314.00 | Ki | CHEMBL2435407 | ChEMBL ↗ |
|
169846 ↗ |
O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
474.00 | Ki | CHEMBL2435408 | ChEMBL ↗ |
|
169847 ↗ |
O=C1CCCC2(CCN(c3nc4ccccc4o3)CC2)N1Cc1cccc2[nH]ccc12
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
20.00 | Ki | CHEMBL2435409 | ChEMBL ↗ |
|
169848 ↗ |
O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
13.00 | Ki | CHEMBL2435411 | ChEMBL ↗ |
|
169849 ↗ |
O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ccccc12
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
236.00 | Ki | CHEMBL2435412 | ChEMBL ↗ |
|
169850 ↗ |
Cc1ccc(C)c(CN2C(=O)CCCC23CCN(c2cnc4ccccc4n2)CC3)c1
|
CHEMBL5113 ↗
UniProt: O43613 ↗ |
77.00 | Ki | CHEMBL2435413 | ChEMBL ↗ |