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Compound Detail

CHEMBL1206227

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CC(C)c1c(S(=O)(=O)N2CCc3ccccc3C2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206227
Phase Preclinical
Structure Type MOL
InChI Key STBNWPSJTYYOOA-LOYHVIPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

652.8
MW (Da)
5.95
ALogP
6
HBA
3
HBD
120.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H38F2N2O6S
MW 652.76
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine