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Compound Detail

CHEMBL1642494

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CCN(CC)CCN(C(=O)OC)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1642494
Phase Preclinical
Structure Type MOL
InChI Key LLBBAYRFUOMWOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
4.33
ALogP
6
HBA
0
HBD
64.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3O4
MW 449.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
21190859 10.1016/j.bmc.2010.12.002 Melanin-concentrating hormone receptor 1 2
21190859 10.1016/j.bmc.2010.12.002 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine