Compound Detail
CHEMBL96484
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Basic Information
| ChEMBL ID | CHEMBL96484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNOVVMIYEZBYPL-MOPGFXCFSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
0.88
ALogP
5
HBA
4
HBD
127.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.32 | 6.32 | 480.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 1600.0 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 480.0 | nM | 6.32 | In vitro inhibition of human thrombin. | 11133089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11133089 | 10.1016/s0960-894x(00)00579-5 | Prothrombin | 1 |
| 11133089 | 10.1016/s0960-894x(00)00579-5 | Serine protease 1 | 1 |
| 11133089 | 10.1016/s0960-894x(00)00579-5 | NON-PROTEIN TARGET | 1 |
| 11133089 | 10.1016/s0960-894x(00)00579-5 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine