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Compound Detail

CHEMBL4089225

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COCCNc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4089225
Phase Preclinical
Structure Type MOL
InChI Key YVQUPMLFBMFQSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.9
MW (Da)
3.86
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.62
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 C17H21ClN6O
MW 360.85
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
28049589 10.1016/j.bmcl.2016.12.056 Dual specificity protein kinase CLK1 2
28049589 10.1016/j.bmcl.2016.12.056 No relevant target 1

Data from ChEMBL 36 via Core Engine