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Compound Detail

CHEMBL1205453

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Cc1cc(C)c(OCC(O)C[C@@H](O)CC(=O)O)c(CC2CCCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205453
Phase Preclinical
Structure Type MOL
InChI Key WFHBTYFDIZWFDG-MRTLOADZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
3.39
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.63
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 C21H32O5
MW 364.48
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.34

Data from ChEMBL 36 via Core Engine