Compound Detail
CHEMBL340604
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Basic Information
| ChEMBL ID | CHEMBL340604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZDHPCIIVLDJJD-IWSPIJDZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
0.05
ALogP
6
HBA
2
HBD
133.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate kinase CHEMBL2361 | Ki | 4.4 | 4.4 | 40000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate kinase | Ki | = | 40000.0 | nM | 4.4 | In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tubercu... | 12930144 |
| Thymidylate kinase | Ki | = | 40000.0 | nM | 4.4 | Inhibition of Mycobacterium tuberculosis TMPK assessed as inhibition constant by... | 36459759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930144 | 10.1021/jm021108n | Thymidylate kinase | 1 |
| 12930144 | 10.1021/jm021108n | Thymidine kinase, cytosolic | 1 |
| 12930144 | 10.1021/jm021108n | Unchecked | 1 |
| 8381182 | 10.1021/jm00055a006 | L1210 | 1 |
| 8381182 | 10.1021/jm00055a006 | P388 | 1 |
| 8381182 | 10.1021/jm00055a006 | Unchecked | 1 |
| 8381182 | 10.1021/jm00055a006 | CCRF-CEM | 1 |
| 8381182 | 10.1021/jm00055a006 | MT2 | 1 |
| 36459759 | 10.1016/j.ejmech.2022.114946 | Thymidylate kinase | 1 |
Data from ChEMBL 36 via Core Engine