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Compound Detail

CHEMBL203159

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c1ccc(CNc2ncncc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL203159
Phase Preclinical
Structure Type MOL
InChI Key POONZHUJUUVUMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
3.05
ALogP
10
HBA
2
HBD
120.1
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 C20H17N7O3
MW 403.40
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.82

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