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Compound Detail

CHEMBL4587860

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COc1ccc(Oc2nc(Nc3ccc(N4CCCCC4)nc3)ncc2NC(N)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587860
Phase Preclinical
Structure Type MOL
InChI Key PMPFDXJIBWYYTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.90
ALogP
8
HBA
3
HBD
127.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N7O3
MW 435.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
30445265 10.1016/j.ejmech.2018.10.057 Macrophage colony-stimulating factor 1 receptor 2
30445265 10.1016/j.ejmech.2018.10.057 Death-associated protein kinase 1 2

Data from ChEMBL 36 via Core Engine