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Compound Detail

CHEMBL214679

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O=C(NC1CCN(Cc2cccc3c2OCO3)CC1)c1cc(=O)c2ccc(F)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214679
Phase Preclinical
Structure Type MOL
InChI Key BEEYODCPXLNCSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
3.06
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21FN2O5
MW 424.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
17064075 10.1021/jm060683e Melanin-concentrating hormone receptor 1 2
17064075 10.1021/jm060683e Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine