Compound Detail
CHEMBL1755
CONIVAPTAN 💊 Approved Drug
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💊 Approved Drug
Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL1755 |
| Name | CONIVAPTAN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | IKENVDNFQMCRTR-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
5
Targets
7
Activities
2
Assay Types
9
PK Parameters
20
Publications
1
Known Names
5
Indications
Molecular Properties
498.6
MW (Da)
6.51
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2005 |
| Availability | Prescription |
| Chirality | Achiral |
Indications
Cardiovascular Diseases Hyponatremia Heart Failure Liver Cirrhosis Brain Injuries
ATC Classification
C03XA02
conivaptan
Level 1: CARDIOVASCULAR SYSTEM
Level 2: DIURETICS
Activity Summary
Ki 5 meas. best 9.44
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | Ki | 9.44 | 9.44 | 0.4 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 9.37 | 9.37 | 0.4 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | Ki | 9.32 | 9.32 | 0.5 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Oxytocin receptor CHEMBL3996 | Ki | 7.35 | 7.35 | 44.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.0 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.01 | - | Homo sapiens |
| Fu | 0.01 | - | Homo sapiens |
| MRT | 4.2 | hr | Homo sapiens |
| T1/2 | 0.35 | hr | Homo sapiens |
| T1/2 | 0.1667 | hr | Mus musculus |
| T1/2 | 6.7 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 0.36 | nM | 9.44 | Displacement [3H]Arg human recombinant Vasopressin V2 receptor | 20471258 |
| Vasopressin V1a receptor | Ki | = | 0.43 | nM | 9.37 | Displacement [3H]Arg human recombinant Vasopressin V1a receptor | 20471258 |
| Vasopressin V1a receptor | Ki | = | 0.48 | nM | 9.32 | Displacement of [3H]AVP from V1A receptor in Wistar rat liver membranes incubate... | 30199637 |
| Vasopressin V1a receptor | IC50 | = | 3.0 | nM | 8.52 | Antagonist activity at human Vasopressin V1a receptor assessed as inhibition of ... | 20471258 |
| Vasopressin V2 receptor | Ki | = | 3.04 | nM | 8.52 | Displacement of [3H]AVP from V2 receptor in Wistar rat kidney membranes incubate... | 30199637 |
| Vasopressin V2 receptor | IC50 | = | 11.0 | nM | 7.96 | Antagonist activity at human Vasopressin 2 receptor assessed as inhibition of in... | 20471258 |
| Oxytocin receptor | Ki | = | 44.4 | nM | 7.35 | Displacement of [3H]OT from OTR in Wistar rat uterus membranes incubated for 60 ... | 30199637 |
Literature References
Data from ChEMBL 36 via Core Engine