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Compound Detail

CHEMBL7581

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CN(C)c1ncnc2c1ncn2Cc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7581
Phase Preclinical
Structure Type MOL
InChI Key WJVHKSQKRSCRIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

287.8
MW (Da)
2.59
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.74
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 C14H14ClN5
MW 287.75
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
2845083 10.1021/jm00118a025 rhinovirus A1B 1
9379440 10.1021/jm960662s Rattus norvegicus 1
3346877 10.1021/jm00398a019 Rattus norvegicus 1
2540330 10.1021/jm00125a015 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine