Preclamol


SMILES CCCN1CCC[C@@H](c2cccc(O)c2)C1
InChIKey HTSNFXAICLXZMA-CYBMUJFWSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 219.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D3

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Bovine Dopamine A pKi 4.92 6.04 7.28 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.8 7.8 7.8 ChEMBL
D4 DRD4 Human Dopamine A pEC50 7.22 7.22 7.22 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.15 6.97 7.67 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 5.47 6.33 7.26 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 7.72 7.72 7.72 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.1 5.1 5.1 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.88 7.24 7.6 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.29 7.65 8.01 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.64 7.34 8.07 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.07 6.43 6.79 ChEMBL
D1 DRD1 Human Dopamine A pKi 4.0 4.0 4.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 4.64 5.55 6.76 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 5.58 5.58 5.58 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 4.38 4.57 4.76 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 4.0 4.11 4.22 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 4.0 4.0 4.0 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 4.5 4.5 4.5 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 4.0 4.0 4.0 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 6.29 6.29 6.29 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.27 5.27 5.27 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 4.62 4.62 4.62 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 4.0 4.0 4.0 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 4.0 4.0 4.0 PDSP Ki database
μ OPRM Human Opioid A pKi 4.0 4.0 4.0 PDSP Ki database
δ OPRD Human Opioid A pKi 4.0 4.0 4.0 PDSP Ki database
κ OPRK Human Opioid A pKi 4.0 4.0 4.0 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 4.0 4.0 4.0 PDSP Ki database
α1A ADA1A Human Adrenoceptors A pKi 4.0 4.0 4.0 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 4.0 4.0 4.0 PDSP Ki database
CB1 CNR1 Rat Cannabinoid A pKi 4.0 4.0 4.0 PDSP Ki database