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Compound Detail

CHEMBL5872928

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CC(C)(C)OC(=O)N1CCC2(CC1)CC(CNC(=O)N1Cc3ccncc3C1)C2

Basic Information

ChEMBL ID CHEMBL5872928
Phase Preclinical
Structure Type MOL
InChI Key BUWAOVDOQVREQS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
3.53
ALogP
4
HBA
1
HBD
74.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N4O3
MW 400.52
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.68

Activity Summary

IC50 2 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.34 8.34 4.6 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine