PURVALANOLA


SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
InChIKey PMXCMJLOPOFPBT-HNNXBMFYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 388.2

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
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.42 5.42 5.42 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.52 5.52 5.52 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.12 5.12 5.12 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.31 5.31 5.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR183 GP183 Human Orphan A pIC50 5.08 5.08 5.08 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.01 5.01 5.01 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 7.9 7.9 7.9 ChEMBL
FPR1 FPR1 Human Formylpeptide A pIC50 5.1 5.1 5.1 ChEMBL
FPR3 FPR3 Human Formylpeptide A pIC50 5.45 5.45 5.45 ChEMBL