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Compound Detail

CHEMBL2387247

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O=c1cc(C2CC2)c2ccc(OCCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2387247
Phase Preclinical
Structure Type MOL
InChI Key QBWHDSKMMPTKKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

476.6
MW (Da)
5.99
ALogP
6
HBA
0
HBD
68.7
PSA (Ų)
0.23
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 C28H29FN2O4
MW 476.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
23675993 10.1021/jm400408r 5-hydroxytryptamine receptor 2A 1
23675993 10.1021/jm400408r 5-hydroxytryptamine receptor 1A 1
23675993 10.1021/jm400408r D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine