Compound Detail
CHEMBL3792525
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COC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(N3CCN(c4ccc(F)cc4)CC3)cc2[n+]1[O-]
Basic Information
| ChEMBL ID | CHEMBL3792525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCDCYLBTCVOTOW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
2.38
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 500.0 | nM | 6.3 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 incub... | 27025343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27025343 | 10.1016/j.bmcl.2016.03.066 | Mycobacterium tuberculosis | 20 |
| 27025343 | 10.1016/j.bmcl.2016.03.066 | J774 | 3 |
| 27025343 | 10.1016/j.bmcl.2016.03.066 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine