LY341495


SMILES OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N
InChIKey VLZBRVJVCCNPRJ-KPHUOKFYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 353.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7MTQ 8JCW 7FD9 7WI6 7WI8 8JCX 8JCV 8JCY 8JCZ 8JCU

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 5.7 5.7 5.7 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 7.25 7.37 7.6 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.35 6.35 6.35 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.33 9.28 9.8 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.77 6.96 7.1 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.38 4.38 4.38 ChEMBL
A3 AA3R Human Adenosine A pKi 5.72 5.72 5.72 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.0 8.0 8.0 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
A3 AA3R Human Adenosine A pKi 8.24 8.24 8.24 Drug Central
A1 AA1R Rat Adenosine A pKi 8.36 8.36 8.36 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α1A ADA1A Rat Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.19 8.19 8.19 Drug Central
α1A ADA1A Bovine Adrenoceptors A pKi 8.03 8.03 8.03 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.18 6.18 6.18 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database