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Compound Detail

CHEMBL1206845

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COc1ccc(C(c2ccc(F)cc2)c2cc(C)cc(C)c2OCC(O)C[C@@H](O)CC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206845
Phase Preclinical
Structure Type MOL
InChI Key IEMSSGCNYIGNPI-WXFIPNSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
4.60
ALogP
5
HBA
3
HBD
96.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31FO6
MW 482.55
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine