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Compound Detail

CHEMBL1510837

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Cc1c(-c2ccnc3cc(C(=O)O)nn23)cnn1C

Basic Information

ChEMBL ID CHEMBL1510837
Phase Preclinical
Structure Type MOL
InChI Key ZKGJXIZZNSDXSY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

257.2
MW (Da)
1.14
ALogP
6
HBA
1
HBD
85.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N5O2
MW 257.25
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA dC->dU-editing enzyme APOBEC-3A
CHEMBL1741179
IC50 4.05 4.05 88900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine