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Compound Detail

CHEMBL4301005

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N[C@@H]1CCC=C(c2ccc(F)cc2)[C@H]1COc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301005
Phase Preclinical
Structure Type MOL
InChI Key NBZBSEDIUYZBSR-VQIMIIECSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.0
MW (Da)
5.08
ALogP
6
HBA
2
HBD
94.3
PSA (Ų)
0.46
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20ClF2N3O3S2
MW 512.00
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.25

Data from ChEMBL 36 via Core Engine