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Compound Detail

CHEMBL19183

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Cc1c(C)c2ccc(OCc3ccc(C(C)C)cc3)c(C)c2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19183
Phase Preclinical
Structure Type MOL
InChI Key JHDLMWPPMLTANW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
5.42
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24O3
MW 336.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80328-0 Amine oxidase [flavin-containing] A 1
- 10.1016/S0960-894X(01)80328-0 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine