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Compound Detail

CHEMBL1184305

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CN(C)c1ccc(-c2cc(-c3ccccc3)[s+]c(-c3ccc(N)cc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184305
Phase Preclinical
Structure Type MOL
InChI Key KHCLCIULGUSVPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
6.68
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.31
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 C25H23N2S+
MW 383.54
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine