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Compound Detail

CHEMBL1507415

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O=C(COc1ccccc1)Nc1nc[nH]n1

Basic Information

ChEMBL ID CHEMBL1507415
Phase Preclinical
Structure Type MOL
InChI Key RDQSHWYUPMQDEX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
0.82
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.80
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 C10H10N4O2
MW 218.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.11

Activity Summary

EC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
EC50 5.26 5.26 5510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine