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Compound Detail

CHEMBL549655

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CNc1nc2ccccc2n2c(-c3ccccc3OC)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL549655
Phase Preclinical
Structure Type MOL
InChI Key XWXFPVFRBGZJPW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.60
ALogP
5
HBA
1
HBD
51.5
PSA (Ų)
0.63
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 C18H16N4O
MW 304.35
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.04

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
19278757 10.1016/j.ejmech.2009.02.007 A-375 1
27094151 10.1016/j.bmc.2016.04.004 A-375 1
27094151 10.1016/j.bmc.2016.04.004 Tubulin 1

Data from ChEMBL 36 via Core Engine