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Compound Detail

CHEMBL1178577

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CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1scc(C)[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178577
Phase Preclinical
Structure Type MOL
InChI Key NATFSQIDCSKTEV-CZIZESTLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
2.74
ALogP
6
HBA
0
HBD
29.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22N3OS3+
MW 416.62
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine