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Compound Detail

CHEMBL6019431

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O=C(CCc1ccccc1)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1

Basic Information

ChEMBL ID CHEMBL6019431
Phase Preclinical
Structure Type MOL
InChI Key SKHJETPLKYWLMU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
3.37
ALogP
3
HBA
1
HBD
65.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N4O2
MW 418.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 7.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 7.84 7.84 14.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine