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Compound Detail

CHEMBL1205184

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CCCc1cc(Oc2cccc(C(=O)O)c2)ccc1OCCCOc1cc(O)c(C(C)=O)cc1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205184
Phase Preclinical
Structure Type MOL
InChI Key JDXKIKDTNKBFCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
6.45
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32O7
MW 492.57
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine