Compound Detail
CHEMBL4567362
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Basic Information
| ChEMBL ID | CHEMBL4567362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XARRKOBDVTXFBF-NTCAYCPXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.64
ALogP
4
HBA
2
HBD
88.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.31 | 5.31 | 4902.0 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 5.23 | 5.23 | 5920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 4120.0 | nM | 5.38 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 30992165 |
| K562 | IC50 | = | 4902.0 | nM | 5.31 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 30992165 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 5920.0 | nM | 5.23 | Inhibition of recombinant NAMPT (unknown origin) using NAM and PRPP as substrate... | 30992165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30992165 | 10.1016/j.bmcl.2019.04.013 | Nicotinamide phosphoribosyltransferase | 1 |
| 30992165 | 10.1016/j.bmcl.2019.04.013 | K562 | 1 |
| 30992165 | 10.1016/j.bmcl.2019.04.013 | HeLa | 1 |
| 30992165 | 10.1016/j.bmcl.2019.04.013 | DU-145 | 1 |
| 30992165 | 10.1016/j.bmcl.2019.04.013 | MCF7 | 1 |
| 30992165 | 10.1016/j.bmcl.2019.04.013 | Huh-7 | 1 |
| 30992165 | 10.1016/j.bmcl.2019.04.013 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine