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Compound Detail

CHEMBL4586304

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

Basic Information

ChEMBL ID CHEMBL4586304
Phase Preclinical
Structure Type MOL
InChI Key POBWASUDBIRBOA-MRVPVSSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
1.50
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.78
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 C14H17NO4
MW 263.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.48

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