Compound Detail
CHEMBL3581507
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Basic Information
| ChEMBL ID | CHEMBL3581507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEKNMVRNEBNHNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
0.97
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 15000.0 | nM | 4.82 | Inhibition of Mycobacterium tuberculosis N-terminal His-tagged BioA assessed as ... | 26068403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26068403 | 10.1021/acs.jmedchem.5b00092 | Mycobacterium tuberculosis | 3 |
| 26068403 | 10.1021/acs.jmedchem.5b00092 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine