CHEMBL1893324


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
InChIKey HEOYHMUESMJFDC-RIWXPGAOSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
VPAC1 VIPR1 Human VIP and PACAP B1 pKi 10.17 10.17 10.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAC1 PACR Human VIP and PACAP B1 pEC50 8.64 8.64 8.64 ChEMBL
VPAC1 VIPR1 Human VIP and PACAP B1 pIC50 9.92 9.93 9.96 ChEMBL
VPAC1 VIPR1 Human VIP and PACAP B1 pEC50 10.7 10.7 10.7 ChEMBL
VPAC2 VIPR2 Human VIP and PACAP B1 pEC50 10.1 10.1 10.1 ChEMBL