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Compound Detail

CHEMBL2030559

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Nc1ncnc2c1cnn2CC1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030559
Phase Preclinical
Structure Type MOL
InChI Key WIWYTHZSXOQVGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
0.41
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N6
MW 232.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
22369268 10.1021/jm201725v Unchecked 2
22369268 10.1021/jm201725v Proto-oncogene tyrosine-protein kinase Src 1
22369268 10.1021/jm201725v Tyrosine-protein kinase ABL1 1

Data from ChEMBL 36 via Core Engine