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Compound Detail

CHEMBL4301301

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CCCCCCCCCCCCCCCCc1cc2nc3ccc(N(C)C)cc3sc-2cc1=[N+](C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301301
Phase Preclinical
Structure Type MOL
InChI Key VOBGZIACCWNKMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

508.8
MW (Da)
8.52
ALogP
3
HBA
0
HBD
19.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H50N3S+
MW 508.84
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine