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Compound Detail

CHEMBL1204670

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COc1ccc(C(=O)/C(Cc2ccc(OC)c(OC)c2OC)=C(\C(=O)O)c2ccc3c(c2)OCO3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204670
Phase Preclinical
Structure Type MOL
InChI Key KVMLOIHJNDCBKI-GFMRDNFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.5
MW (Da)
4.41
ALogP
8
HBA
1
HBD
109.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26O9
MW 506.51
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine