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Compound Detail

CHEMBL1673322

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O=C(COc1ncnc2cc(Cl)ccc12)Nc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673322
Phase Preclinical
Structure Type MOL
InChI Key GMMZWHFJXLGZOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.2
MW (Da)
3.95
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.78
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 C16H11Cl2N3O2
MW 348.19
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.09

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