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Compound Detail

CHEMBL3942285

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CCCC1([C@@H](O)c2ccc([C@H]3CCC(=O)[C@@H]3C/C=C\CCCC(=O)O)cc2)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3942285
Phase Preclinical
Structure Type MOL
InChI Key XIXOQXADHJXXFO-TUHXMILOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.95
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36O4
MW 412.57
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.52

Data from ChEMBL 36 via Core Engine