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Compound Detail

CHEMBL4062653

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O=C(O)c1csc(-n2nc(-c3ccccc3Cl)cc2C(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4062653
Phase Preclinical
Structure Type MOL
InChI Key UDTXIBGOBQYHDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.7
MW (Da)
4.37
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7ClF3N3O2S
MW 373.74
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
29120638 10.1021/acs.jmedchem.7b00941 L-lactate dehydrogenase A chain 2
29120638 10.1021/acs.jmedchem.7b00941 L-lactate dehydrogenase 2

Data from ChEMBL 36 via Core Engine