Compound Detail
CHEMBL3120379
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Basic Information
| ChEMBL ID | CHEMBL3120379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHMCJBRZJDKOQU-ODLFYWEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.06
ALogP
4
HBA
1
HBD
70.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | EC50 | = | 18000.0 | nM | 4.75 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv assessed as ... | 24472146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24472146 | 10.1016/j.bmcl.2014.01.007 | Mycobacterium tuberculosis | 4 |
| 24472146 | 10.1016/j.bmcl.2014.01.007 | Vero | 1 |
Data from ChEMBL 36 via Core Engine