Compound Detail
CHEMBL48931
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Basic Information
| ChEMBL ID | CHEMBL48931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJONKTQXERJMCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
5.93
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| DNA gyrase subunit A/DNA gyrase subunit B CHEMBL3430898 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 3.5 | nM | 8.46 | Inhibitory concentration to reduce the growth of L1210 cells by 50% after 70 hr.... | 3820217 |
| DNA gyrase subunit A/DNA gyrase subunit B | IC50 | = | 15100.0 | nM | 4.82 | Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DN... | 26787274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7205885 | 10.1021/jm00134a009 | Nucleic Acid | 2 |
| 7205885 | 10.1021/jm00134a009 | Mus musculus | 2 |
| 3820217 | 10.1021/jm00386a006 | L1210 | 2 |
| 26787274 | 10.1016/j.bmc.2016.01.011 | DNA gyrase | 2 |
| 26787274 | 10.1016/j.bmc.2016.01.011 | Unchecked | 2 |
| 7205885 | 10.1021/jm00134a009 | No relevant target | 1 |
| 7205885 | 10.1021/jm00134a009 | Calf thymus DNA | 1 |
| 7120279 | 10.1021/jm00350a004 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 7069706 | 10.1021/jm00345a015 | No relevant target | 1 |
| 26787274 | 10.1016/j.bmc.2016.01.011 | DNA gyrase subunit A/DNA gyrase subunit B | 1 |
| 26787274 | 10.1016/j.bmc.2016.01.011 | DNA gyrase subunit B | 1 |
| 26787274 | 10.1016/j.bmc.2016.01.011 | Mycobacterium tuberculosis | 1 |
| 26787274 | 10.1016/j.bmc.2016.01.011 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine