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SMILES CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C
InChIKey LBWQSAZEYIZZCE-SNVBAGLBSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 340.2

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
A1 AA1R Rat Adenosine A pKi 5.58 5.58 5.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CRF1 CRFR1 Rat Corticotropin-releasing factor B1 pIC50 6.89 6.89 6.89 Guide to Pharmacology
CRF1 CRFR1 Rat Corticotropin-releasing factor B1 pIC50 6.89 7.77 8.21 ChEMBL
CRF1 CRFR1 Human Corticotropin-releasing factor B1 pIC50 6.47 7.68 8.35 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.31 5.31 5.31 ChEMBL
CRF1 CRFR1 Human Corticotropin-releasing factor B1 pIC50 6.47 6.47 6.47 Guide to Pharmacology