bantag-1


SMILES CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C
InChIKey DAWSYEXBFLQUER-SLMIJXFKSA-P

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 7
Rotatable bonds 23
Molecular weight (Da) 894.6

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
CRF1 CRFR1 Human Corticotropin-releasing factor B1 pKi 7.85 7.85 7.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database