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Compound Detail

CHEMBL369217

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OCCCNc1ccc(-c2ncncc2Nc2cccc(Cl)c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369217
Phase Preclinical
Structure Type MOL
InChI Key MGTIACDPECYKLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.8
MW (Da)
3.73
ALogP
6
HBA
3
HBD
83.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClN5O
MW 355.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
15771433 10.1021/jm040099a Vascular endothelial growth factor receptor 2 1
15771433 10.1021/jm040099a Cyclin-dependent kinase 1 1

Data from ChEMBL 36 via Core Engine