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Compound Detail

CHEMBL53784

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C[C@]12COO[C@H](c3ccccc3)[C@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53784
Phase Preclinical
Structure Type MOL
InChI Key HQACCIZCOIBXOK-MXWKQRLJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
1.85
ALogP
3
HBA
0
HBD
31.0
PSA (Ų)
0.50
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 C11H12O3
MW 192.21
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.85

Literature References

PubMed DOI Target Context # Activities
15027875 10.1021/jm0305319 Homo sapiens 1
15027875 10.1021/jm0305319 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine