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Compound Detail

CHEMBL5994724

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O=C(NCC1CC12CCN(CCC1CCC(CC(F)(F)F)CC1)CC2)N1Cc2ccncc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5994724
Phase Preclinical
Structure Type MOL
InChI Key AREOBIBFIVNXKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
5.36
ALogP
3
HBA
1
HBD
48.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H37F3N4O
MW 478.60
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 11.0 nM 7.96 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -

Data from ChEMBL 36 via Core Engine