pexerelgon


SMILES COC1=CC(F)=C(O[C@H]2CC[C@](C(O)=O)(C)CC2)C=C1C(N[C@H]3[C@@H](C(NCC4(CCC4)C)=O)[C@@H]5CC[C@H]3C5)=O
InChIKey LYUYYIGCZIZIGF-UNBDJWOASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 544.3

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
CCK2 GASR Human Cholecystokinin A pKi 4.9 4.9 4.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
RXFP1 RXFP1 Human Relaxin family peptide A pEC50 7.8 7.8 7.8 Guide to Pharmacology
RXFP1 RXFP1 Mouse Relaxin family peptide A pEC50 6.3 6.3 6.3 Guide to Pharmacology
RXFP1 RXFP1 Rat Relaxin family peptide A pEC50 5.31 5.31 5.31 Guide to Pharmacology
RXFP1 RXFP1 Mouse Relaxin family peptide A pEC50 6.3 6.3 6.3 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 4.3 4.3 4.3 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 4.1 4.1 4.1 ChEMBL
TP TA2R Human Prostanoid A pIC50 4.6 4.6 4.6 ChEMBL
RXFP1 RXFP1 Human Relaxin family peptide A pEC50 5.1 8.16 10.48 ChEMBL
RXFP1 RXFP1 Rat Relaxin family peptide A pEC50 5.31 5.31 5.31 ChEMBL