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Compound Detail

CHEMBL1459448

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Cc1cccc(OCC(=O)Nc2nc[nH]n2)c1C

Basic Information

ChEMBL ID CHEMBL1459448
Phase Preclinical
Structure Type MOL
InChI Key FWPCWEJGLURNAP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
1.44
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N4O2
MW 246.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.12

Activity Summary

EC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
EC50 5.5 5.5 3170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine