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Compound Detail

CHEMBL1194136

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O=C(Cc1cccc2sccc12)O[C@@H]1CCCC[C@H]1N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194136
Phase Preclinical
Structure Type MOL
InChI Key JWVVPTYSQPJIFV-QZTJIDSGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

343.5
MW (Da)
4.39
ALogP
4
HBA
0
HBD
29.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25NO2S
MW 343.49
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine