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Compound Detail

CHEMBL92375

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CC/C(=N\N=C(\N)S)c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL92375
Phase Preclinical
Structure Type MOL
InChI Key TWPXQMDEDYHABH-UKTHLTGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
2.18
ALogP
2
HBA
2
HBD
50.7
PSA (Ų)
0.35
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 C10H12FN3S
MW 225.29
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.30

Literature References

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

Data from ChEMBL 36 via Core Engine