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Compound Detail

CHEMBL240733

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O=C(CCCN1c2ccccc2C2CC3CNCCN3CC21)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL240733
Phase Preclinical
Structure Type MOL
InChI Key IIYOGQVRYCSVTF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
3.44
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28FN3O
MW 393.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
17869521 10.1016/j.bmc.2007.07.018 D(2) dopamine receptor 1
17869521 10.1016/j.bmc.2007.07.018 5-hydroxytryptamine receptor 2A 1

Data from ChEMBL 36 via Core Engine