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Compound Detail

CHEMBL1814619

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COc1ccc(OC)c(NN=C2c3ccccc3C(=O)c3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814619
Phase Preclinical
Structure Type MOL
InChI Key QVUGNSGSRPKULX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.11
ALogP
5
HBA
1
HBD
59.9
PSA (Ų)
0.56
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 C22H18N2O3
MW 358.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.50

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