TRETINOIN


SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1
InChIKey SHGAZHPCJJPHSC-YCNIQYBTSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 300.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.64 6.64 6.64 ChEMBL
A3 AA3R Human Adenosine A pKi 5.53 5.53 5.53 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
A3 AA3R Human Adenosine A pKi 8.26 8.26 8.26 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.45 6.45 6.45 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.28 5.28 5.28 ChEMBL