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Compound Detail

CHEMBL521574

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O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(c3cccc4ccccc34)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL521574
Phase Preclinical
Structure Type MOL
InChI Key XNXNUDBDHIHMLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
5.25
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H29N3O
MW 447.58
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
19326916 10.1021/jm8014553 5-hydroxytryptamine receptor 7 1
19326916 10.1021/jm8014553 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine