carbetocin [1650]



carbetocin

No image available
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey NSTRIRCPWQHTIA-DTRKZRJBSA-N
Sequence None

Chemical Properties

Hydrogen bond acceptors 13
Hydrogen bond donors 10
Rotatable bonds 18
Log P -2.501
Molecular weight (Da) 987.5
Stereochemistry info partial

Database connections

Model (Boltz2) OT

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

carbetocin

No image available

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 1
Phase IV 1

Database connections

Model (Boltz2) OT

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score