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Compound Detail

CHEMBL1206363

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CC(C)c1c(S(=O)(=O)Nc2cccc(C(N)=O)c2)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 CHEMBL1206363
Phase Preclinical
Structure Type MOL
InChI Key ISGYEZYSDGYQME-KAYWLYCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

655.7
MW (Da)
5.10
ALogP
7
HBA
5
HBD
171.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H35F2N3O7S
MW 655.72
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine