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Compound Detail

CHEMBL4458771

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O=C1NC(c2ccsc2)(c2ccccn2)CC(O)=C1Sc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458771
Phase Preclinical
Structure Type MOL
InChI Key WFOJPKOJXMWJDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
5.12
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClN2O2S2
MW 414.94
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
27774125 10.1021/acsmedchemlett.6b00190 L-lactate dehydrogenase A chain 1
27774125 10.1021/acsmedchemlett.6b00190 L-lactate dehydrogenase B chain 1

Data from ChEMBL 36 via Core Engine