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Compound Detail

CHEMBL1682844

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COc1ccc(CCNc2cc(-c3ccncn3)cc(=O)n2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1682844
Phase Preclinical
Structure Type MOL
InChI Key PBYDAZUKTKCDNK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.51
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.75
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 C19H20N4O2
MW 336.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.95

Pharmacokinetic Data

Parameter Value Units Species
CL 60.7 mL.min-1.kg-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
21295469 10.1016/j.bmcl.2011.01.017 Glycogen synthase kinase-3 beta 2
21295469 10.1016/j.bmcl.2011.01.017 Liver microsomes 1

Data from ChEMBL 36 via Core Engine