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Compound Detail

CHEMBL226451

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CN(C)c1ccc(C#Cc2ncnc(NC3CCCCC3)c2-c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226451
Phase Preclinical
Structure Type MOL
InChI Key SVETZGCVGDLYIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.0
MW (Da)
6.01
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27ClN4
MW 430.98
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
17197188 10.1016/j.bmc.2006.12.029 Adenosine kinase 2

Data from ChEMBL 36 via Core Engine