Δ9-tetrahydrocannabinol


SMILES CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C
InChIKey CYQFCXCEBYINGO-IAGOWNOFSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 314.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 7.3 7.35 7.4 Guide to Pharmacology
CB2 CNR2 Human Cannabinoid A pKi 7.1 7.3 7.5 Guide to Pharmacology
CB1 CNR1 Mouse Cannabinoid A pKi 7.39 7.54 7.82 ChEMBL
CB2 CNR2 Mouse Cannabinoid A pKi 7.4 7.56 8.04 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.14 7.46 8.48 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 7.39 7.67 8.54 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 7.35 7.77 8.5 PDSP Ki database
CB2 CNR2 Mouse Cannabinoid A pKi 7.56 8.16 8.76 PDSP Ki database
CB2 CNR2 Rat Cannabinoid A pKi 7.55 7.86 8.17 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 7.82 7.99 8.3 PDSP Ki database
CB1 CNR1 Mouse Cannabinoid A pKi 8.08 8.08 8.08 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 8.07 8.07 8.07 Drug Central
CB2 CNR2 Human Cannabinoid A pKi 8.07 8.07 8.07 Drug Central
CB2 CNR2 Mouse Cannabinoid A pKi 8.09 8.09 8.09 Drug Central
CB1 CNR1 Mouse Cannabinoid A pKi 8.13 8.13 8.13 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 6.02 6.02 6.02 Guide to Pharmacology
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 8.1 8.1 8.1 Guide to Pharmacology
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 5.34 5.57 6.02 ChEMBL
CB1 CNR1 Mouse Cannabinoid A pEC50 7.11 7.11 7.11 ChEMBL
CB2 CNR2 Mouse Cannabinoid A pEC50 8.14 8.14 8.14 ChEMBL
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pEC50 4.85 4.85 4.85 ChEMBL
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pIC50 4.85 4.85 4.85 ChEMBL
CB2 CNR2 Human Cannabinoid A pIC50 8.02 8.02 8.02 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 7.91 8.22 8.82 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 7.11 7.42 7.77 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 8.55 8.55 8.55 ChEMBL
GPR18 GPR18 Human GPR18, GPR55 and GPR119 A pEC50 8.22 8.22 8.22 Drug Central
D3 DRD3 Human Dopamine A pEC50 7.99 7.99 7.99 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.1 8.1 8.1 Drug Central
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pIC50 8.31 8.31 8.31 Drug Central