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Compound Detail

CHEMBL5542583

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CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(Nc3ncc4c(n3)CCC(=O)N4)cnc2C#N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5542583
Phase Preclinical
Structure Type MOL
InChI Key CQLVLIUPQJCNEK-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
2.79
ALogP
9
HBA
3
HBD
145.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N8O3
MW 450.50
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.65

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