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Compound Detail

CHEMBL4802441

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CCCCCCCCCCc1cc2nc3ccc(N(C)C)cc3sc-2cc1=[N+](C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802441
Phase Preclinical
Structure Type MOL
InChI Key TYAHQZJLPXIHMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.7
MW (Da)
6.18
ALogP
3
HBA
0
HBD
19.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38N3S+
MW 424.68
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine