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Compound Detail

CHEMBL91439

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CC/C(=N\NC(N)=O)c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91439
Phase Preclinical
Structure Type MOL
InChI Key NLQPPJBKYADNSY-NTEUORMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.1
MW (Da)
2.78
ALogP
2
HBA
2
HBD
67.5
PSA (Ų)
0.64
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 C10H11Cl2N3O
MW 260.12
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
12061873 10.1021/jm010459j Cruzipain 1

Data from ChEMBL 36 via Core Engine