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Compound Detail

CHEMBL314528

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CSc1ccnc(CSc2nc3cc(OC(C)C)ccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314528
Phase Preclinical
Structure Type MOL
InChI Key AYURXYQPKDJRGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
4.76
ALogP
5
HBA
1
HBD
50.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3OS2
MW 345.49
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
11128645 10.1016/s0960-894x(00)00539-4 Receptor-type tyrosine-protein phosphatase C 1

Data from ChEMBL 36 via Core Engine