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Compound Detail

CHEMBL204233

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CN(c1ccc2c(c1)OCCO2)c1nnc(-c2cccnc2NCc2ccccn2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204233
Phase Preclinical
Structure Type MOL
InChI Key ZCKZUSANVPSSFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
3.68
ALogP
9
HBA
1
HBD
98.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N6O3
MW 416.44
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
16377187 10.1016/j.bmcl.2005.11.094 Tubulin 1
16377187 10.1016/j.bmcl.2005.11.094 A-431 1

Data from ChEMBL 36 via Core Engine