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Compound Detail

CHEMBL1623120

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CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1623120
Phase Preclinical
Structure Type MOL
InChI Key GMEBKRPJRUGDMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.5
MW (Da)
4.52
ALogP
2
HBA
0
HBD
7.1
PSA (Ų)
0.51
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 C20H21N2S+
MW 321.47
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine