Compound Detail
CHEMBL4294516
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)[C@]12CC[C@@H](C(C)COC(=O)CCC(=O)O)[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 | CHEMBL4294516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDKQDRQLGSTRMU-VDHOVSMTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.8
MW (Da)
6.15
ALogP
6
HBA
2
HBD
119.0
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 23000.0 | nM | 4.64 | 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