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Compound Detail

CHEMBL5792485

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Cn1nnc(-c2ccc(C(=O)N3CCC4(CC3)CC4CNC(=O)c3cc4ccncc4o3)cc2)n1

Basic Information

ChEMBL ID CHEMBL5792485
Phase Preclinical
Structure Type MOL
InChI Key KYBDSTXGQNYJTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
2.69
ALogP
8
HBA
1
HBD
119.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N7O3
MW 471.52
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 7.82 7.82 15.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine