Compound Detail
CHEMBL3301668
CARBETOCIN 🧪 Phase III
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🧪 Phase III
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
Basic Information
| ChEMBL ID | CHEMBL3301668 |
| Name | CARBETOCIN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | NSTRIRCPWQHTIA-DTRKZRJBSA-N |
| Therapeutic | ✓ Yes |
5
Targets
14
Activities
2
Assay Types
5
PK Parameters
20
Publications
9
Known Names
4
Indications
1
Mechanisms
Molecular Properties
988.2
MW (Da)
-2.50
ALogP
13
HBA
10
HBD
362.5
PSA (Ų)
0.07
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Oxytocin receptor agonist | AGONIST | Oxytocin receptor | ✓ | ✓ |
Indications
Postpartum Hemorrhage Prader-Willi Syndrome Leiomyoma Uterine Inertia
ATC Classification
H01BB03
carbetocin
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
Activity Summary
EC50 13 meas. best 9.15
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | EC50 | 9.15 | 8.265 | 0.7 | 4 |
| Oxytocin receptor CHEMBL2049 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | EC50 | 8.64 | 8.015 | 2.3 | 2 |
| Vasopressin V1b receptor CHEMBL1921 | EC50 | 8.32 | 6.445 | 4.8 | 2 |
| Oxytocin receptor CHEMBL3243907 | EC50 | 7.21 | 7.21 | 62.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | EC50 | 6.77 | 5.9667 | 170.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 22.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.6667 | hr | Mus musculus |
| T1/2 | 24.0 | hr | - |
| T1/2 | 0.2167 | hr | - |
| T1/2 | 0.6667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine