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Compound Detail

CHEMBL5088570

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Cc1nc(N(C)C2CCCN(CCC#N)C2)c2c(n1)[nH]c1cc(Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5088570
Phase Preclinical
Structure Type MOL
InChI Key SWBIACUELKDLRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.9
MW (Da)
3.89
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN6
MW 382.90
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
34213342 10.1021/acs.jmedchem.0c02146 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine