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Compound Detail

CHEMBL1179374

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COc1c(-c2ccsc2)c(SCCN(C)C)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179374
Phase Preclinical
Structure Type MOL
InChI Key NGCURTNSSNXXSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
4.63
ALogP
5
HBA
0
HBD
25.4
PSA (Ų)
0.61
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 C18H20N2OS2
MW 344.51
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine