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Compound Detail

CHEMBL4449730

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CCC(=O)Nc1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449730
Phase Preclinical
Structure Type MOL
InChI Key KAXUPURMNRNUOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
3.90
ALogP
7
HBA
5
HBD
147.1
PSA (Ų)
0.28
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 C23H23N7O3
MW 445.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
31857838 10.1021/acsmedchemlett.9b00365 G protein-coupled receptor kinase 5 3
31857838 10.1021/acsmedchemlett.9b00365 Rhodopsin kinase GRK1 1
31857838 10.1021/acsmedchemlett.9b00365 Beta-adrenergic receptor kinase 1 1

Data from ChEMBL 36 via Core Engine