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Compound Detail

CHEMBL4778010

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CC(C)(C)c1csc(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778010
Phase Preclinical
Structure Type MOL
InChI Key CUWZBHVYLVGOAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
2.02
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H12N2S
MW 156.25
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
36518695 10.1021/acsmedchemlett.2c00429 No relevant target 8
36518695 10.1021/acsmedchemlett.2c00429 UDP-N-acetylglucosamine 1-carboxyvinyltransferase 3
36518695 10.1021/acsmedchemlett.2c00429 Replicase polyprotein 1ab 2
33543615 10.1021/acs.jmedchem.0c01521 Heat shock protein HSP 90-alpha 1
36518695 10.1021/acsmedchemlett.2c00429 Unchecked 1
36518695 10.1021/acsmedchemlett.2c00429 D-alanine--D-alanine ligase B 1

Data from ChEMBL 36 via Core Engine