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Compound Detail

CHEMBL5776622

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CCC1(CCNC(=O)CC2(C)CCN(C)CC2)CC1CNC(=O)N1CC2=CC=NCC2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5776622
Phase Preclinical
Structure Type MOL
InChI Key SARLXADWSHHKMR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
2.68
ALogP
4
HBA
2
HBD
77.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H41N5O2
MW 443.64
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 0.03

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 6.0 nM 8.22 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -

Data from ChEMBL 36 via Core Engine