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Compound Detail

CHEMBL4482938

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Cc1cc(C(=O)NCCN2CCOCC2)c(O)c2c1C[C@@H](C)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4482938
Phase Preclinical
Structure Type MOL
InChI Key YBDMLAIEYOEAIS-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
0.86
ALogP
6
HBA
2
HBD
88.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N2O5
MW 348.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.36

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