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Compound Detail

CHEMBL1189857

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

Basic Information

ChEMBL ID CHEMBL1189857
Phase Preclinical
Structure Type MOL
InChI Key OITSYRIFLPQYEH-RTBURBONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
4.33
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N2OS
MW 356.54
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.31

Data from ChEMBL 36 via Core Engine