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Compound Detail

CHEMBL5558141

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N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1NCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558141
Phase Preclinical
Structure Type MOL
InChI Key CICLXDAPQVXWIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
0.70
ALogP
8
HBA
4
HBD
145.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N8O
MW 322.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.59

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