Compound Detail
CHEMBL3260363
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Basic Information
| ChEMBL ID | CHEMBL3260363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXYCSZBFRAMFJN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
2.18
ALogP
7
HBA
2
HBD
120.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.018 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 3.2 | nM | 8.49 | Antiproliferative activity against human A2780 cells assessed as cell viability ... | 24021463 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of C-terminal His-6-tagged full length human NAMPT expressed in Esche... | 24021463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24021463 | 10.1016/j.bmcl.2013.08.074 | A2780 | 2 |
| 24021463 | 10.1016/j.bmcl.2013.08.074 | No relevant target | 1 |
| 24021463 | 10.1016/j.bmcl.2013.08.074 | Nicotinamide phosphoribosyltransferase | 1 |
| 24021463 | 10.1016/j.bmcl.2013.08.074 | Plasma | 1 |
| 24021463 | 10.1016/j.bmcl.2013.08.074 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine