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Compound Detail

CHEMBL5849046

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CN1CCN(C2CCN(S(=O)(=O)c3ccc(CNC(=O)c4ccc5nccn5c4)cc3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5849046
Phase Preclinical
Structure Type MOL
InChI Key JHFPPOQEOJWMIG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
1.66
ALogP
7
HBA
1
HBD
90.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N6O3S
MW 496.64
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -2.13

Activity Summary

IC50 1 meas. best 8.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.51 8.51 3.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 3.1 nM 8.51 Enzymatic Reaction Assay: The NAMPT enzymatic reactions were carried out in Buff... -

Data from ChEMBL 36 via Core Engine