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Compound Detail

CHEMBL405386

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CC1=C/C(=C\c2ccc3c(c2)OCO3)C(=O)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL405386
Phase Preclinical
Structure Type MOL
InChI Key ZJCDVVPVKYCBGQ-BJMVGYQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.98
ALogP
4
HBA
0
HBD
35.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10O3S
MW 246.29
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
18333608 10.1021/jm701500e Unchecked 6
18333608 10.1021/jm701500e Cruzipain 2

Data from ChEMBL 36 via Core Engine