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Compound Detail

CHEMBL4525616

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Cc1cc(C(=O)N2CCOCC2)c(O)c2c1C[C@@H](C)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4525616
Phase Preclinical
Structure Type MOL
InChI Key LRNXKCHIEIMGPX-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
1.27
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19NO5
MW 305.33
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.01

Literature References

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

Data from ChEMBL 36 via Core Engine