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Compound Detail

CHEMBL247283

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O=C(NC1CCN(Cc2ccc(OCCN3CCOCC3)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247283
Phase Preclinical
Structure Type MOL
InChI Key CRHMTDYCSHOAOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

527.6
MW (Da)
3.18
ALogP
7
HBA
1
HBD
84.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31F2N3O5
MW 527.57
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
17350253 10.1016/j.bmcl.2006.11.068 Melanin-concentrating hormone receptor 1 2
17350253 10.1016/j.bmcl.2006.11.068 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine