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Compound Detail

CHEMBL2180860

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O=C(Nc1cccc2c1C1CCCCN1C2=O)NC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180860
Phase Preclinical
Structure Type MOL
InChI Key DQHHSWXUKBBFNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.82
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.87
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 C19H25N3O2
MW 327.43
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
23083119 10.1021/jm3008536 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
23083119 10.1021/jm3008536 Glycogen synthase kinase-3 1
23083119 10.1021/jm3008536 Cyclin-dependent kinase 5/CDK5 activator 1 1

Data from ChEMBL 36 via Core Engine