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Compound Detail

CHEMBL2382395

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Cc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2382395
Phase Preclinical
Structure Type MOL
InChI Key KHMZWRDNLXANEN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.9
MW (Da)
4.31
ALogP
5
HBA
2
HBD
98.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClN4O2S
MW 424.91
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.32

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
23628333 10.1016/j.bmcl.2013.04.001 L-lactate dehydrogenase A chain 2
23628333 10.1016/j.bmcl.2013.04.001 L-lactate dehydrogenase B chain 1

Data from ChEMBL 36 via Core Engine