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Compound Detail

CHEMBL1806512

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CC(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1

Basic Information

ChEMBL ID CHEMBL1806512
Phase Preclinical
Structure Type MOL
InChI Key WYZPEJBQLZCYNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.7
MW (Da)
3.03
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.79
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 C14H11ClN4O
MW 286.72
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.16

Activity Summary

EC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
EC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21741236 10.1016/j.bmcl.2011.06.047 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine