Compound Detail
CHEMBL3982300
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O=C(Nc1ccc2c(c1)C(N1CCN(C(=O)c3ccc4[nH]ccc4c3)CC1)c1ccccc1-2)Nc1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL3982300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHNZZSFXQWEFSM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.1
MW (Da)
6.99
ALogP
3
HBA
3
HBD
80.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis variant bovis CHEMBL613086 | IC50 | 6.61 | 6.61 | 247.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis variant bovis | IC50 | = | 247.0 | nM | 6.61 | Antimycobacterial activity against Mycobacterium bovis BCG assessed as growth in... | - |
Data from ChEMBL 36 via Core Engine