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Compound Detail

CHEMBL200848

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CN1C(N)=NC(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200848
Phase Preclinical
Structure Type MOL
InChI Key VLMWVSSEOQKRQE-XYOKQWHBSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.7
MW (Da)
2.73
ALogP
4
HBA
1
HBD
71.8
PSA (Ų)
0.87
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 C15H12ClN3O2
MW 301.73
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.80

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
16392787 10.1021/jm050892j Lethal factor 2

Data from ChEMBL 36 via Core Engine