Compound Detail
CHEMBL4278300
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COC(=O)[C@]12CC[C@@H](C(C)CO)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)NC(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL4278300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKPGUUMYUQVNCA-RJGSSDKCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.8
MW (Da)
5.74
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.48
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 5700.0 | nM | 5.24 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv | 29202408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29202408 | 10.1016/j.ejmech.2017.11.035 | Mycobacterium tuberculosis | 3 |
Data from ChEMBL 36 via Core Engine