compound 1 [PMID: 28379944] [2105]



compound 1 [PMID: 28379944]


SMILES CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIKey KDPHUUTUDFDLBT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Log P 6.763
Molecular weight (Da) 623.2
Stereochemistry info unspecified

Database connections

Structure pdb 5UNF 5UNG

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

compound 1 [PMID: 28379944]


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Structure pdb 5UNF 5UNG

Compound is not listed as a drug.