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Compound Detail

CHEMBL4568562

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COc1ccc(C)c2c1C(=O)O[C@@H](C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4568562
Phase Preclinical
Structure Type MOL
InChI Key PUHAIJJCXSKQQD-QMMMGPOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
2.11
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H14O3
MW 206.24
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 1.11

Literature References

PubMed DOI Target Context # Activities
30975503 10.1016/j.bmc.2019.03.060 Amine oxidase [flavin-containing] B 1
30975503 10.1016/j.bmc.2019.03.060 Amine oxidase [flavin-containing] A 1
30975503 10.1016/j.bmc.2019.03.060 Unchecked 1

Data from ChEMBL 36 via Core Engine