Compound Detail
CHEMBL5894345
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CN1CCN(Cc2ccc(C(=O)N3CCC4(CC3)CC4CNC(=O)N3Cc4ccncc4C3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5894345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFIOQTMGZARJHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.7
MW (Da)
2.80
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.68
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinamide phosphoribosyltransferase | IC50 | = | 10.3 | nM | 7.99 | Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... | - |
Data from ChEMBL 36 via Core Engine