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Compound Detail

CHEMBL5848291

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CN1CCC(c2ccc(CN3CCC4(CC3)CC4CNC(=O)N3Cc4ccncc4C3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL5848291
Phase Preclinical
Structure Type MOL
InChI Key WYTRVMMXEKLVKO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.7
MW (Da)
4.22
ALogP
4
HBA
1
HBD
51.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N5O
MW 473.67
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 8.2 8.2 6.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine