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Compound Detail

CHEMBL1205454

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CC(C)c1cc(-c2ccccc2)cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205454
Phase Preclinical
Structure Type MOL
InChI Key KPUVGZRDNIMEGL-IKOFQBKESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
5.57
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.41
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 C28H38O5
MW 454.61
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.46

Data from ChEMBL 36 via Core Engine