Compound Detail
CHEMBL3127497
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Basic Information
| ChEMBL ID | CHEMBL3127497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHMWQTJEUKVYBF-XZOQPEGZSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.02
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 9.31 | 9.31 | 0.5 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.33 | 8.33 | 4.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 0.49 | nM | 9.31 | Antiproliferative activity against human A2780 cells after 72 hrs by sulforhodam... | 24405419 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 4.7 | nM | 8.33 | Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escheri... | 24405419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24405419 | 10.1021/jm4015108 | A2780 | 2 |
| 24405419 | 10.1021/jm4015108 | No relevant target | 1 |
| 24405419 | 10.1021/jm4015108 | Liver microsome | 1 |
| 24405419 | 10.1021/jm4015108 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine