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Compound Detail

CHEMBL1206702

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CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206702
Phase Preclinical
Structure Type MOL
InChI Key SIVYMNIEVODPNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.1
MW (Da)
5.58
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26ClNO5S2
MW 496.05
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine