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Compound Detail

CHEMBL1403606

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Cc1ccc(-n2c([O-])nc(-[n+]3ccccc3)c2C=O)cc1

Basic Information

ChEMBL ID CHEMBL1403606
Phase Preclinical
Structure Type MOL
InChI Key YJQTZMCQCQZVAR-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
1.34
ALogP
4
HBA
0
HBD
61.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N3O2
MW 279.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.78

Activity Summary

EC50 1 meas. best 5.04
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
EC50 5.04 5.04 9080.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine