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Compound Detail

CHEMBL1206153

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CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2c3ccccc3[nH]c(=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206153
Phase Preclinical
Structure Type MOL
InChI Key JYDKAFGMJHDOHJ-RTBURBONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
4.39
ALogP
5
HBA
4
HBD
115.5
PSA (Ų)
0.28
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 C27H29FN2O5
MW 480.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.03

Data from ChEMBL 36 via Core Engine