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Compound Detail

CHEMBL3754853

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COC(=O)c1c(O)c(Cl)c(C)c(Cl)c1Oc1c(OC)cc(O)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754853
Phase Preclinical
Structure Type MOL
InChI Key ZCKIGKYXTYPWPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.2
MW (Da)
4.00
ALogP
7
HBA
3
HBD
122.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Cl2O8
MW 417.20
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.95

Data from ChEMBL 36 via Core Engine