Compound Detail
CHEMBL102425
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Basic Information
| ChEMBL ID | CHEMBL102425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKEHVJFBPNPCKI-XLPZGREQSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
-0.20
ALogP
6
HBA
2
HBD
133.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.07
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate kinase CHEMBL2361 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate kinase | Ki | = | 7000.0 | nM | 5.16 | Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacteri... | 12941330 |
| Human immunodeficiency virus 1 | EC50 | = | 8600.0 | nM | 5.07 | Antiviral activity against HIV I strain (LAV) in human peripheral blood mononucl... | 2918508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18272369 | 10.1016/j.bmc.2008.01.038 | Thymidine phosphorylase | 2 |
| 12941330 | 10.1016/s0960-894x(03)00643-7 | Thymidylate kinase | 1 |
| 3643284 | 10.1021/jm00385a033 | Moloney murine leukemia virus | 1 |
| 2918508 | 10.1021/jm00123a018 | Human immunodeficiency virus 1 | 1 |
| 2918508 | 10.1021/jm00123a018 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine