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Compound Detail

CHEMBL1185391

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CCN1C=CC=C/C1=C\C=c1/s/c(=C\c2sc3ccc4ccccc4c3[n+]2CC)n(CC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185391
Phase Preclinical
Structure Type MOL
InChI Key UIVAEKICXHDHTO-OCQVVQNISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.7
MW (Da)
4.50
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N3OS2+
MW 486.69
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine