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Compound Detail

CHEMBL4073369

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CC(C)c1cc(-c2ccccc2)nn1-c1nc(C(=O)O)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073369
Phase Preclinical
Structure Type MOL
InChI Key HHADQEDCHXEGBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
3.82
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O2S
MW 313.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.54

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