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Compound Detail

CHEMBL91266

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N/C(S)=N/N=C/c1cc(C#Cc2ccccc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91266
Phase Preclinical
Structure Type MOL
InChI Key AUCIRDVYWSUJGC-CXUHLZMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
2.73
ALogP
3
HBA
2
HBD
50.7
PSA (Ų)
0.29
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 C14H11N3S2
MW 285.40
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.25

Literature References

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

Data from ChEMBL 36 via Core Engine