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Compound Detail

CHEMBL3233104

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Cc1cc(C)c(C#N)c(SCCNC(=O)COc2ccccc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233104
Phase Preclinical
Structure Type MOL
InChI Key WNIFDEXDBJKHDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.17
ALogP
5
HBA
1
HBD
75.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O2S
MW 355.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -2.15

Literature References

PubMed DOI Target Context # Activities
24533839 10.1021/jm401709b Cruzipain 2

Data from ChEMBL 36 via Core Engine