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Compound Detail

CHEMBL5936197

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C=C(NCC1CC12CCC(CCCCC)CC2)N1CC2=CC=NCC2C1

Basic Information

ChEMBL ID CHEMBL5936197
Phase Preclinical
Structure Type MOL
InChI Key GIEUQARZVUDOCS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.6
MW (Da)
4.77
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H37N3
MW 355.57
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 0.90

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinamide phosphoribosyltransferase
CHEMBL1744525
IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine