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Compound Detail

CHEMBL4473478

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CC(C)(C)c1cc(C(=O)NCC(=O)O)cc(C(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4473478
Phase Preclinical
Structure Type MOL
InChI Key LYDDESPZWKSDRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.10
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25NO3
MW 291.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
32292570 10.1021/acsmedchemlett.9b00537 Unchecked 1

Data from ChEMBL 36 via Core Engine