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Compound Detail

CHEMBL487469

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CC[C@H](CO)Nc1nc(-c2ccncc2)c2ncn(C(C)C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487469
Phase Preclinical
Structure Type MOL
InChI Key XUVINPAZAYDYSH-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.65
ALogP
7
HBA
2
HBD
88.8
PSA (Ų)
0.72
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 C17H22N6O
MW 326.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
18698753 10.1021/jm800109e Unchecked 3
18698753 10.1021/jm800109e Glycogen synthase kinase-3 1
18698753 10.1021/jm800109e SH-SY5Y 1
18698753 10.1021/jm800109e HEK293 1

Data from ChEMBL 36 via Core Engine