JR14a [4396]



JR14a


SMILES Cc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)sc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
InChIKey OHRIKWUZKGNQKQ-IBGZPJMESA-N

Chemical Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 5
Rotatable bonds 10
Log P 4.990
Molecular weight (Da) 532.1
Stereochemistry info unspecified

Database connections

Structure pdb 9IPY 9IPV 9KUT 9L0H 8ZWG 8ZWF

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

JR14a


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 9IPY 9IPV 9KUT 9L0H 8ZWG 8ZWF

Compound is not listed as a drug.