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Compound Detail

CHEMBL1189581

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CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189581
Phase Preclinical
Structure Type MOL
InChI Key HROGKJXKWGBGNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

556.5
MW (Da)
4.02
ALogP
8
HBA
0
HBD
99.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27Cl2NO7S
MW 556.46
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine