CHEMBL5092328


SMILES CCS(=O)(=O)[C@]1(C)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N
InChIKey NDIQAOIHFVWZJQ-NHCUHLMSSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 530.1

Drug properties

Molecular type Unknown
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pKi 5.92 5.92 5.92 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.09 5.09 5.09 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.14 5.14 5.14 ChEMBL
A1 AA1R Human Adenosine A pKi 5.13 5.13 5.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database