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Compound Detail

CHEMBL1814616

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O=C1c2ccccc2C(=NNc2ccccc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814616
Phase Preclinical
Structure Type MOL
InChI Key UVTUFRBNHPHLLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
4.10
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.57
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 C20H14N2O
MW 298.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
21705223 10.1016/j.bmc.2011.06.010 K562 1
21705223 10.1016/j.bmc.2011.06.010 Tubulin 1

Data from ChEMBL 36 via Core Engine