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Compound Detail

CHEMBL590815

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CC(C)CCOc1cc(CN(CCC(N)=O)c2cccc(CCC(=O)O)c2)cc(OCCCN)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL590815
Phase Preclinical
Structure Type MOL
InChI Key HKNBGEHPGMNHQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
3.74
ALogP
6
HBA
3
HBD
128.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H39N3O5
MW 485.63
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.44

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