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Compound Detail

CHEMBL1673323

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O=C(CN1CCc2ccccc21)Nc1nnc(-c2cccs2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673323
Phase Preclinical
Structure Type MOL
InChI Key GMDBHOALUWXUNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.27
ALogP
6
HBA
1
HBD
58.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4OS2
MW 342.45
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.73

Literature References

PubMed DOI Target Context # Activities
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1
20625148 10.1128/aac.00313-10 Trypanosoma cruzi 1
20625148 10.1128/aac.00313-10 ADMET 1

Data from ChEMBL 36 via Core Engine