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Compound Detail

CHEMBL2069534

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CNc1ccc(-c2ccc3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2069534
Phase Preclinical
Structure Type MOL
InChI Key SLVJLLSYTZXMFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.94
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2
MW 234.30
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
22832319 10.1016/j.bmcl.2012.06.086 Unchecked 1
23127889 10.1016/j.bmcl.2012.09.109 Unchecked 1
23127889 10.1016/j.bmcl.2012.09.109 Microtubule-associated protein tau 1

Data from ChEMBL 36 via Core Engine