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Compound Detail

CHEMBL4524355

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CC#CC(=O)NCc1ccc(OC)c(Nc2nc(Nc3ccccc3C(=O)NC)c3cc[nH]c3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4524355
Phase Preclinical
Structure Type MOL
InChI Key SAOAUPAMDGJOJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.5
MW (Da)
3.45
ALogP
7
HBA
5
HBD
133.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N7O3
MW 483.53
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
31857838 10.1021/acsmedchemlett.9b00365 G protein-coupled receptor kinase 5 2
31857838 10.1021/acsmedchemlett.9b00365 Beta-adrenergic receptor kinase 1 1
31857838 10.1021/acsmedchemlett.9b00365 Unchecked 1

Data from ChEMBL 36 via Core Engine