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Compound Detail

CHEMBL93490

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N/C(S)=N/N=C/c1cccc(Cl)c1Cl

Basic Information

ChEMBL ID CHEMBL93490
Phase Preclinical
Structure Type MOL
InChI Key MUEBZTOJMDYECK-UUILKARUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.1
MW (Da)
2.57
ALogP
2
HBA
2
HBD
50.7
PSA (Ų)
0.36
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 C8H7Cl2N3S
MW 248.14
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.62

Literature References

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

Data from ChEMBL 36 via Core Engine