SR-144528


SMILES Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1
InChIKey SUGVYNSRNKFXQM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 475.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Rat Cannabinoid A pKi 9.22 9.22 9.22 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pKi 7.16 7.16 7.16 ChEMBL
CB1 CNR1 Rat Cannabinoid A pKi 6.36 6.38 6.4 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.29 8.44 9.55 ChEMBL
CB2 CNR2 Human Cannabinoid A pKd 8.2 8.2 8.2 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 5.54 6.7 9.4 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.29 8.47 9.49 PDSP Ki database
CB2 CNR2 Mouse Cannabinoid A pKi 9.55 10.08 10.4 PDSP Ki database
CB2 CNR2 Rat Cannabinoid A pKi 9.52 9.55 9.62 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 5.25 5.84 7.3 PDSP Ki database
CB1 CNR1 Rat Cannabinoid A pKi 6.52 7.04 7.56 PDSP Ki database
CB1 CNR1 Mouse Cannabinoid A pKi 7.15 7.43 7.7 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H3 HRH3 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
B1 BKRB1 Human Bradykinin A pKi 5.0 5.0 5.0 PDSP Ki database
B2 BKRB2 Human Bradykinin A pKi 5.0 5.0 5.0 PDSP Ki database
CCK2 GASR Human Cholecystokinin A pKi 5.0 5.0 5.0 PDSP Ki database
ETA EDNRA Human Endothelin A pKi 5.0 5.0 5.0 PDSP Ki database
ETB EDNRB Human Endothelin A pKi 5.0 5.0 5.0 PDSP Ki database
Y1 NPY1R Human Neuropeptide Y A pKi 5.0 5.0 5.0 PDSP Ki database
NK1 NK1R Human Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
NK2 NK2R Human Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
NK3 NK3R Human Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
V2 V2R Human Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
PAF PTAFR Human Platelet-activating factor A pKi 5.0 5.0 5.0 PDSP Ki database
TP TA2R Human Prostanoid A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
Y2 NPY2R Human Neuropeptide Y A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pEC50 6.13 7.93 8.74 ChEMBL
CB2 CNR2 Human Cannabinoid A pIC50 8.5 8.51 8.52 ChEMBL