CHEMBL4438620


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@](C)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC1=O
InChIKey NAWDZLCHPHJGNY-SRAXFJQUSA-N

Chemical properties

Hydrogen bond acceptors 29
Hydrogen bond donors 38
Rotatable bonds 65
Molecular weight (Da) 2386.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
RXFP4 RL3R2 Human Relaxin family peptide A pKi 6.91 6.91 6.91 ChEMBL
RXFP3 RL3R1 Human Relaxin family peptide A pKi 6.97 6.97 6.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
RXFP4 RL3R2 Human Relaxin family peptide A pEC50 6.92 6.92 6.92 ChEMBL
RXFP3 RL3R1 Human Relaxin family peptide A pEC50 8.28 8.28 8.28 ChEMBL