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Compound Detail

CHEMBL2165385

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COc1ccc(Cn2[nH]c(COc3cc(Cl)cc(Cl)c3)cc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2165385
Phase Preclinical
Structure Type MOL
InChI Key OBSHCYGHNPUPRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
4.12
ALogP
4
HBA
1
HBD
56.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl2N2O3
MW 379.24
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
23021992 10.1016/j.bmcl.2012.08.114 PC-12 1

Data from ChEMBL 36 via Core Engine