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Compound Detail

CHEMBL210221

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COc1cc(/C=C\Cc2cc(O)c3cc(-c4ccccc4)oc3c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210221
Phase Preclinical
Structure Type MOL
InChI Key PLWKMJHOHRKSGA-CLFYSBASSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
6.09
ALogP
5
HBA
1
HBD
61.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24O5
MW 416.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness 0.84

Literature References

PubMed DOI Target Context # Activities
16722633 10.1021/jm0510732 BMEC 1

Data from ChEMBL 36 via Core Engine