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Compound Detail

CHEMBL4289172

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C=C1C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4289172
Phase Preclinical
Structure Type MOL
InChI Key YKZFIBZQTHYSNX-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
3.05
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO4
MW 311.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
29306206 10.1016/j.ejmech.2017.12.004 A2780 1
29306206 10.1016/j.ejmech.2017.12.004 MDA-MB-231 1
29306206 10.1016/j.ejmech.2017.12.004 SK-OV-3 1
29306206 10.1016/j.ejmech.2017.12.004 HeLa 1

Data from ChEMBL 36 via Core Engine