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Compound Detail

CHEMBL3736203

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COc1cc2ccn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3736203
Phase Preclinical
Structure Type MOL
InChI Key YFWZSGQLUFLOEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.2
MW (Da)
4.37
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.69
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 C18H15Cl2NO3
MW 364.23
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
26546216 10.1016/j.bmcl.2015.10.018 Molecular identity unknown 3

Data from ChEMBL 36 via Core Engine