Compound Detail
CHEMBL1449930
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Basic Information
| ChEMBL ID | CHEMBL1449930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVHLLLANKSUTQN-UHFFFAOYSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
4.79
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.68
EC50 3 meas. best 6.11
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 773.0 | nM | 6.11 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of ATP synthase in Mycobacterium smegmatis inverted membrane vesicles... | - |
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of bovine heart mitochondrial ATP synthase assessed as reduction in o... | - |
| Unchecked | EC50 | = | 7120.0 | nM | 5.15 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | EC50 | = | 9369.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Unchecked | IC50 | = | 39240.0 | nM | 4.41 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00589B | Unchecked | 3 |
| - | 10.1039/C5MD00589B | Mycobacterium tuberculosis | 1 |
| 35612311 | 10.1021/acs.jmedchem.2c00227 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine