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Compound Detail

CHEMBL4285304

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CC(C)(C)c1ccc(C(=O)O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4285304
Phase Preclinical
Structure Type MOL
InChI Key BJDXNKJQTLSJPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

184.3
MW (Da)
2.74
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12O2S
MW 184.26
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
30265959 10.1016/j.ejmech.2018.09.040 D-amino-acid oxidase 1

Data from ChEMBL 36 via Core Engine