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Compound Detail

CHEMBL6000391

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O=C(COc1ccccc1)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1

Basic Information

ChEMBL ID CHEMBL6000391
Phase Preclinical
Structure Type MOL
InChI Key RCCXDFMJLLJGPZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.81
ALogP
4
HBA
1
HBD
74.8
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 C24H28N4O3
MW 420.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.85

Activity Summary

IC50 2 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 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine