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Compound Detail

CHEMBL1186410

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Cc1cc(-c2ccc(N(C)C)cc2)[s+]c(-c2ccc(N(C)C)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186410
Phase Preclinical
Structure Type MOL
InChI Key VHOPNCJDENCOMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
5.80
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N2S+
MW 349.52
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine