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Compound Detail

CHEMBL3581060

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COc1cc(OC)c(Cl)c(-c2cc(=O)c3ccc4occc4c3o2)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581060
Phase Preclinical
Structure Type MOL
InChI Key NFOYTTCGQYDKJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.2
MW (Da)
5.53
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H12Cl2O5
MW 391.21
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness 0.75

Literature References

PubMed DOI Target Context # Activities
25466192 10.1016/j.bmcl.2014.11.015 ADMET 1
25466192 10.1016/j.bmcl.2014.11.015 BV-2 1

Data from ChEMBL 36 via Core Engine