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Compound Detail

CHEMBL3330736

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CNc1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330736
Phase Preclinical
Structure Type MOL
InChI Key KFZNPGQYVZZSNV-UHFFFAOYSA-M
Parent Compound CHEMBL3558304
Active Moiety CHEMBL3558304
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.84
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H16ClN3S
MW 305.83
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
25086914 10.1016/j.ejmech.2014.07.095 Amyloid-beta precursor protein 1
25086914 10.1016/j.ejmech.2014.07.095 Microtubule-associated protein tau 1

Data from ChEMBL 36 via Core Engine