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Compound Detail

CHEMBL5945091

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C=C(CC)C1CCC2(CC1)CC2CNC(=C)N1CC/C(=C\C=C/C)C1

Basic Information

ChEMBL ID CHEMBL5945091
Phase Preclinical
Structure Type MOL
InChI Key UYKULRUXLGLUPD-GPOYWNOFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.6
MW (Da)
5.42
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H36N2
MW 340.56
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.90

Activity Summary

IC50 1 meas. best 7.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 7.99 7.99 10.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine