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Compound Detail

CHEMBL6028917

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CC1(C)CC1C(=O)N1CCC2(CC1)CC2CNC(=N)c1cc2ccncc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6028917
Phase Preclinical
Structure Type MOL
InChI Key YVPJFNAHSSXTOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
3.42
ALogP
4
HBA
2
HBD
82.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O2
MW 380.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.01

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 7.82 7.82 15.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 15.2 nM 7.82 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -

Data from ChEMBL 36 via Core Engine