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Compound Detail

CHEMBL1205143

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CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205143
Phase Preclinical
Structure Type MOL
InChI Key HHPPQSYWYCSWEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
4.96
ALogP
7
HBA
2
HBD
123.3
PSA (Ų)
0.20
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24O8
MW 476.48
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine