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Compound Detail

CHEMBL1966498

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O=C(O)c1ccc(Cl)c2c1C1C=CCC1C(c1ccccc1F)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1966498
Phase Preclinical
Structure Type MOL
InChI Key XORRMCWMRYNNOM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.8
MW (Da)
5.00
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClFNO2
MW 343.79
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 4.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA dC->dU-editing enzyme APOBEC-3A
CHEMBL1741179
 IC50 4.56 4.56 27400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA dC->dU-editing enzyme APOBEC-3A IC50 = 27400.0 nM 4.56 PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deam... -

Data from ChEMBL 36 via Core Engine