Compound Detail
CHEMBL4289635
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
CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCNC(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1
Basic Information
| ChEMBL ID | CHEMBL4289635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUSDRZFACDXUBP-VQTBYPRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.7
MW (Da)
7.12
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 3800.0 | nM | 5.42 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv | 29202408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29202408 | 10.1016/j.ejmech.2017.11.035 | Mycobacterium tuberculosis | 9 |
Data from ChEMBL 36 via Core Engine