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Compound Detail

CHEMBL5557764

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

Basic Information

ChEMBL ID CHEMBL5557764
Phase Preclinical
Structure Type MOL
InChI Key KGQMUNJRYWKACT-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
1.52
ALogP
8
HBA
2
HBD
107.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N5O4
MW 405.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.92

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