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Compound Detail

CHEMBL4469254

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CCN(CC)C(=O)c1cc(C)c2c(c1O)C(=O)O[C@H](C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469254
Phase Preclinical
Structure Type MOL
InChI Key ANDUSEJKGDHQIG-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
2.28
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21NO4
MW 291.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.24

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