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Compound Detail

CHEMBL3754454

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C[C@@H](C(=O)O)[C@@H]1C[C@@]2(C)C(=CC1=O)C=CC[C@@H]2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754454
Phase Preclinical
Structure Type MOL
InChI Key ZVKARCZUZDRORX-NPZRNVLXSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.82
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20O3
MW 248.32
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 2.60

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
26617964 10.1021/acsmedchemlett.5b00241 N9 3

Data from ChEMBL 36 via Core Engine