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Compound Detail

CHEMBL484166

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COc1ccc(N2NC(=O)/C(=C\c3cc(OC)cc(OC)c3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484166
Phase Preclinical
Structure Type MOL
InChI Key CZYYFGZIVHIVRS-LICLKQGHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
2.17
ALogP
5
HBA
1
HBD
77.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O5
MW 354.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
19282176 10.1016/j.bmcl.2009.02.062 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 2

Data from ChEMBL 36 via Core Engine