Compound Detail
CHEMBL4445749
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CC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(CCCCCNC(=O)/C=C/c2cccnc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4445749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCOLHVODWMNQTK-ISLYRVAYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
6.56
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.17 | 7.17 | 66.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 66.9 | nM | 7.17 | Inhibition of recombinant NAMPT (unknown origin) using nicotinamide as substrate... | 27224875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27224875 | 10.1021/acs.jmedchem.6b00324 | Nicotinamide phosphoribosyltransferase | 1 |
| 27224875 | 10.1021/acs.jmedchem.6b00324 | HeLa | 1 |
| 27224875 | 10.1021/acs.jmedchem.6b00324 | MCF7 | 1 |
| 27224875 | 10.1021/acs.jmedchem.6b00324 | NCI-H1975 | 1 |
| 27224875 | 10.1021/acs.jmedchem.6b00324 | U-937 | 1 |
| 27224875 | 10.1021/acs.jmedchem.6b00324 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine