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Compound Detail

CHEMBL4435462

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

Basic Information

ChEMBL ID CHEMBL4435462
Phase Preclinical
Structure Type MOL
InChI Key KJOMXGNEWQUQGO-SSDOTTSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
1.67
ALogP
4
HBA
1
HBD
70.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO3
MW 217.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.70

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