CP55940


SMILES CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C
InChIKey YNZFFALZMRAPHQ-SYYKKAFVSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 376.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7FEE 8GUR 7V3Z 7WV9 6KQI
Ligand site mutations CB2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.7 7.85 8.0 Guide to Pharmacology
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 Guide to Pharmacology
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 6.75 6.75 6.75 ChEMBL
D1 DRD1 Bovine Dopamine A pKi 5.21 5.21 5.21 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 7.36 7.36 7.36 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.77 7.77 7.77 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 5.85 5.85 5.85 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.07 6.64 7.38 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.34 7.88 8.42 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.3 7.83 8.51 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 8.0 8.0 8.0 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.49 5.91 6.18 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.18 7.0 7.82 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.0 6.92 7.89 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.05 7.67 8.42 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.67 7.56 8.4 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.08 5.37 5.94 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.03 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.07 6.46 6.86 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.67 6.67 6.67 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.22 5.48 5.68 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.42 6.42 6.43 PDSP Ki database
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 PDSP Ki database
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
D2 DRD2 Human Dopamine A pKi 8.11 8.11 8.11 Drug Central
D3 DRD3 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
D4 DRD4 Human Dopamine A pKi 8.15 8.15 8.15 Drug Central
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
D1 DRD1 Bovine Dopamine A pKi 8.28 8.28 8.28 Drug Central
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
D2 DRD2 Bovine Dopamine A pKi 8.13 8.13 8.13 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.31 6.31 6.31 PDSP Ki database
α1A ADA1A Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 5.87 5.87 5.87 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
5-HT1A F6Q2H9 Bovine 5-Hydroxytryptamine A pKi 7.7 7.77 7.85 PDSP Ki database
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 7.58 7.58 7.58 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pIC50 5.0 5.0 5.0 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pIC50 4.8 4.8 4.8 ChEMBL
D1 DRD1 Bovine Dopamine A pIC50 4.57 4.57 4.57 ChEMBL
D2 DRD2 Bovine Dopamine A pIC50 5.4 5.4 5.4 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 4.58 4.74 4.9 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.46 5.46 5.46 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.97 5.97 5.97 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.12 6.12 6.12 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.55 6.79 7.26 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 7.22 7.64 8.15 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.6 7.6 7.6 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.73 7.25 7.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.64 5.64 5.64 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.36 7.36 7.36 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.49 6.49 6.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.14 8.14 8.14 Drug Central
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pIC50 8.22 8.22 8.22 Drug Central
α2A ADA2A Bovine Adrenoceptors A pIC50 8.3 8.3 8.3 Drug Central
α1A ADA1A Bovine Adrenoceptors A pIC50 8.32 8.32 8.32 Drug Central
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pIC50 6.0 6.0 6.0 ChEMBL
α2A ADA2A Bovine Adrenoceptors A pIC50 5.0 5.0 5.0 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.65 4.7 4.75 ChEMBL