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Compound Detail

CHEMBL1178586

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CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\C1=[N+](CC)CCS1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178586
Phase Preclinical
Structure Type MOL
InChI Key NOKAMFFVFHLHIK-HTXNQAPBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.6
MW (Da)
2.20
ALogP
6
HBA
0
HBD
28.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N3OS3+
MW 404.61
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine