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Compound Detail

CHEMBL488125

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O=C(Nc1ccc2[nH]cc(C3CCN(CCN4CCCCC4)CC3)c2c1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL488125
Phase Preclinical
Structure Type MOL
InChI Key WUKJFFSFJUWZQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
5.22
ALogP
3
HBA
2
HBD
51.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33FN4O
MW 448.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
18507369 10.1021/jm7011722 Unchecked 1
18507369 10.1021/jm7011722 5-hydroxytryptamine receptor 1B 1
18507369 10.1021/jm7011722 5-hydroxytryptamine receptor 1D 1

Data from ChEMBL 36 via Core Engine