Compound Detail
CHEMBL1254025
NOLASIBAN 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL1254025 |
| Name | NOLASIBAN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | OLUJSZLBWZWGJT-HGBKYHTQSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
5
Publications
4
Known Names
2
Indications
1
Mechanisms
Molecular Properties
338.4
MW (Da)
2.87
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Oxytocin receptor antagonist | ANTAGONIST | Oxytocin receptor | ✓ | ✓ |
Indications
Infertility Premature Birth
Activity Summary
Ki 3 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Oxytocin receptor CHEMBL3996 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.48 | 6.48 | 330.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 55.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]-oxytocin from human oxytocin receptor expressed in CHO cell... | 20550119 |
| Oxytocin receptor | Ki | = | 210.0 | nM | 6.68 | Displacement of [3H]-oxytocin from rat oxytocin receptor expressed in CHO cells | 20550119 |
| Vasopressin V1a receptor | Ki | = | 330.0 | nM | 6.48 | Displacement of [3H]vasopressin from human vasopressin V1a receptor expressed in... | 20550119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20550119 | 10.1021/jm901812z | Rattus norvegicus | 4 |
| 20550119 | 10.1021/jm901812z | Oxytocin receptor | 2 |
| 20550119 | 10.1021/jm901812z | Unchecked | 1 |
| 20550119 | 10.1021/jm901812z | Vasopressin V1a receptor | 1 |
| 20550119 | 10.1021/jm901812z | Serum | 1 |
Data from ChEMBL 36 via Core Engine