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Compound Detail

CHEMBL5028635

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Cc1ccc2c(c1)c1c[n+](C)ccc1n2CCC(=O)N1c2ccccc2Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028635
Phase Preclinical
Structure Type MOL
InChI Key DWJVIPVCUJKTNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
6.15
ALogP
3
HBA
0
HBD
29.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N3OS+
MW 450.59
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine