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Compound Detail

CHEMBL5542808

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C#CCN1C(=O)[C@@H](C)N(CC#C)c2nc(Nc3ccc(C(=O)O)c(F)c3)ncc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5542808
Phase Preclinical
Structure Type MOL
InChI Key SVYCKEDYTPRBOF-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
1.87
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16FN5O3
MW 393.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
38780468 10.1021/acs.jmedchem.3c02250 Serine/threonine-protein kinase VRK1 2

Data from ChEMBL 36 via Core Engine