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Compound Detail

CHEMBL5851180

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COCC(C)(C)OC(=O)N1CCC2(CC1)CC2CNC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5851180
Phase Preclinical
Structure Type MOL
InChI Key XXOSTKCEIOEDGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
1.32
ALogP
4
HBA
2
HBD
93.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H27N3O4
MW 313.40
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinamide phosphoribosyltransferase IC50 = 9.97 nM 8.0 Biochemical Inhibition Assay: NAMPT Protein Purification. Recombinant His-tagged... -

Data from ChEMBL 36 via Core Engine