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Compound Detail

CHEMBL5558543

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CCn1nc(-c2ccc3c(c2)CCN3C(=O)[C@H](C)c2ccccc2)c2c(N)n[nH]c(=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558543
Phase Preclinical
Structure Type MOL
InChI Key MRUCCLXMRZCNIU-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.08
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6O2
MW 428.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
38171150 10.1016/j.ejmech.2023.116076 Receptor-interacting serine/threonine-protein kinase 1 1
38171150 10.1016/j.ejmech.2023.116076 HT-29 1
38171150 10.1016/j.ejmech.2023.116076 U-937 1
38171150 10.1016/j.ejmech.2023.116076 L929 1

Data from ChEMBL 36 via Core Engine