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Compound Detail

CHEMBL515713

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NC(=O)c1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515713
Phase Preclinical
Structure Type MOL
InChI Key SPFMZJNXKHQFFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
4.35
ALogP
3
HBA
2
HBD
92.1
PSA (Ų)
0.51
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 C26H24N4O2
MW 424.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
19307114 10.1016/j.bmcl.2009.02.126 5-hydroxytryptamine receptor 2B 2

Data from ChEMBL 36 via Core Engine