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Compound Detail

CHEMBL5789229

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CCCC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N1Cc2ccncc2C1

Basic Information

ChEMBL ID CHEMBL5789229
Phase Preclinical
Structure Type MOL
InChI Key FXMZBGGVXMVUBQ-QGZVFWFLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
2.54
ALogP
3
HBA
1
HBD
65.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N4O2
MW 356.47
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.64

Activity Summary

IC50 2 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.28 8.28 5.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine