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Compound Detail

CHEMBL505950

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CC1=C(NCCO)C(=O)c2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL505950
Phase Preclinical
Structure Type MOL
InChI Key IKXJMZTUOAVWRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
0.92
ALogP
4
HBA
2
HBD
66.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO3
MW 231.25
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
19028102 10.1016/j.bmc.2008.10.090 A2780 1
19028102 10.1016/j.bmc.2008.10.090 M-phase inducer phosphatase 2 1
19028102 10.1016/j.bmc.2008.10.090 Dual specificity protein phosphatase 1 1
19028102 10.1016/j.bmc.2008.10.090 Dual specificity protein phosphatase 6 1

Data from ChEMBL 36 via Core Engine