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Compound Detail

CHEMBL1432423

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C[N+]12CCCCC1[C@@H](CO)CCC2.[Br-]

Basic Information

ChEMBL ID CHEMBL1432423
Phase Preclinical
Structure Type MOL
InChI Key LAPXLOURJLSYBM-CVEKITNISA-M
Parent Compound CHEMBL1620803
Active Moiety CHEMBL1620803
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

184.3
MW (Da)
1.39
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22BrNO
MW 264.21
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.51

Activity Summary

IC50 3 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA dC->dU-editing enzyme APOBEC-3A
CHEMBL1741179
IC50 5.55 5.55 2790.0 1
DNA dC->dU-editing enzyme APOBEC-3G
CHEMBL1741217
IC50 5.38 5.38 4190.0 1
Polyadenylate-binding protein 1
CHEMBL1293286
IC50 5.26 5.26 5515.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine