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Compound Detail

CHEMBL5803697

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N#CN=C(NCc1ccc(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1)Nc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5803697
Phase Preclinical
Structure Type MOL
InChI Key SIPYQWVZBGGDSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.9
MW (Da)
4.63
ALogP
5
HBA
2
HBD
107.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClF3N5O2S
MW 493.90
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 3.3 nM 8.48 Biochemical Inhibition Assay: The NAMPT enzymatic reactions were carried out in ... -

Data from ChEMBL 36 via Core Engine