WIN 62,577


SMILES C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2
InChIKey YBCYJDNOPAFFOW-XOAARHKISA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 0
Molecular weight (Da) 437.2

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
α1A ADA1A Human Adrenoceptors A pKi 7.8 7.95 8.1 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 7.6 8.1 8.6 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 7.7 8.05 8.4 Guide to Pharmacology
α1A ADA1A Bovine Adrenoceptors A pKi 7.64 7.64 7.64 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.46 8.46 8.46 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 8.31 8.31 8.31 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.92 8.16 8.55 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 7.61 7.61 7.61 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.0 8.04 8.09 ChEMBL
α1A ADA1A Human Adrenoceptors A pKd 6.66 6.66 6.66 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.44 8.47 8.5 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.0 8.0 8.0 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 8.0 8.0 8.0 PDSP Ki database
α1A ADA1A Human Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.07 8.07 8.07 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.07 8.07 8.07 Drug Central
α1D ADA1D Rat Adrenoceptors A pKi 8.07 8.07 8.07 Drug Central
α1A ADA1A Bovine Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database