(S)-PIA


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C
InChIKey RIRGCFBBHQEQQH-KFAHYOAQSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 385.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT2 AGTR2 Human Angiotensin A pKd 10.2 10.2 10.2 Guide to Pharmacology
AT2 F1RWT0 Pig Angiotensin A pKi 9.7 9.7 9.7 PDSP Ki database
AT2 AGTR2 Human Angiotensin A pKd 7.99 7.99 7.99 Drug Central
AT1 AGTRB Rat Angiotensin A pKi 8.02 8.02 8.02 Drug Central
AT1 AGTR1 Human Angiotensin A pKi 9.05 9.44 9.8 ChEMBL
AT1 AGTR1 Human Angiotensin A pKd 8.7 8.7 8.7 ChEMBL
AT2 AGTR2 Human Angiotensin A pKi 8.92 9.48 9.7 ChEMBL
AT1 AGTR1 Bovine Angiotensin A pKd 8.08 8.08 8.08 Drug Central
AT1 AGTR1 Bovine Angiotensin A pKd 8.24 8.24 8.24 ChEMBL
AT1 AGTRB Rat Angiotensin A pKi 9.02 9.27 9.51 ChEMBL
AT1 AGTRA Rat Angiotensin A pKi 9.02 9.02 9.02 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTR1 Human Angiotensin A pIC50 9.0 9.15 9.3 Guide to Pharmacology
AT1 AGTRA Rat Angiotensin A pIC50 8.03 8.03 8.03 Drug Central
AT1 AGTR1 Human Angiotensin A pIC50 8.03 8.03 8.03 Drug Central
AT1 AGTR1 Human Angiotensin A pIC50 7.99 8.57 9.14 ChEMBL
AT1 AGTR1 Human Angiotensin A pEC50 8.01 8.8 9.31 ChEMBL
AT2 AGTR2 Human Angiotensin A pIC50 8.6 9.3 10.1 ChEMBL
AT1 AGTRB Rat Angiotensin A pIC50 9.4 9.4 9.4 ChEMBL
AT1 AGTRA Rat Angiotensin A pEC50 8.17 8.53 8.89 ChEMBL
AT1 AGTRA Rat Angiotensin A pIC50 9.4 9.4 9.4 ChEMBL