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Compound Detail

CHEMBL1672891

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COc1ccc2c(c1)sc1nc(-c3ccc(NC(C)=O)cc3)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1672891
Phase Preclinical
Structure Type MOL
InChI Key APNSZRZOHZSHII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
4.18
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.61
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 C18H15N3O2S
MW 337.40
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.98

Literature References

PubMed DOI Target Context # Activities
21275403 10.1021/jm101129a Amyloid-beta precursor protein 2

Data from ChEMBL 36 via Core Engine