Compound Detail
CHEMBL19599
CVS-2139 Enter ChEMBL ID:
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N=C(N)NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2F)c1=O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL19599 |
| Name | CVS-2139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFDAQIKHAJYTBV-MRXNPFEDSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
-0.24
ALogP
7
HBA
6
HBD
196.5
PSA (Ų)
0.13
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.25 | 9.25 | 0.6 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 7.68 | 7.68 | 20.8 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 6.72 | 6.72 | 192.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3300.0 | ng.hr.mL-1 | Canis lupus familiaris |
| Cmax | 4028.04 | nM | Canis lupus familiaris |
| T1/2 | 0.8333 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.56 | nM | 9.25 | In vitro inhibitory constant against human thrombin (FIIa). | 11934589 |
| Serine protease 1 | Ki | = | 20.8 | nM | 7.68 | In vitro inhibitory constant against trypsin | 11934589 |
| Coagulation factor X | Ki | = | 192.0 | nM | 6.72 | In vitro inhibitory constant against factor Xa (FXa) was tested | 11934589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Canis familiaris | 3 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Prothrombin | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Coagulation factor X | 1 |
| 11934589 | 10.1016/s0960-894x(02)00129-4 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine