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Compound Detail

CHEMBL5865496

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CC(C)(C)CC(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1

Basic Information

ChEMBL ID CHEMBL5865496
Phase Preclinical
Structure Type MOL
InChI Key OBMQCLJEUHKHCF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
3.62
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O3
MW 383.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 7.96 7.96 11.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine