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Compound Detail

CHEMBL5556225

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N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5556225
Phase Preclinical
Structure Type MOL
InChI Key KSWHQYSYQIXJDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
1.16
ALogP
8
HBA
2
HBD
119.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N7O2
MW 349.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
38547734 10.1016/j.ejmech.2024.116351 MV4-11 1
38547734 10.1016/j.ejmech.2024.116351 HT-29 1
38547734 10.1016/j.ejmech.2024.116351 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine