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Compound Detail

CHEMBL1183200

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CCN1C(C)=CS/C1=C\C=c1/s/c(=C\c2sc3ccccc3[n+]2CC)n(CC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183200
Phase Preclinical
Structure Type MOL
InChI Key JVIQCHBXRGNRIR-YXZJEIOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.7
MW (Da)
3.83
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.55
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 C23H26N3OS3+
MW 456.68
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine