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Compound Detail

CHEMBL589173

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CC(C)CCOc1cc(OCCCN)cc(-c2ccc(CCC(N)=O)c(CCC(=O)O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL589173
Phase Preclinical
Structure Type MOL
InChI Key OZWLYUGAEGEDRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.94
ALogP
5
HBA
3
HBD
124.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N2O5
MW 456.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
20031402 10.1016/j.bmcl.2009.12.010 Granulocyte colony-stimulating factor receptor 1

Data from ChEMBL 36 via Core Engine