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Compound Detail

CHEMBL274566

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O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2ccc3ccccc3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274566
Phase Preclinical
Structure Type MOL
InChI Key BPSOSTBMZBDVNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
2.97
ALogP
6
HBA
0
HBD
66.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O3
MW 416.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
1672156 10.1021/jm00107a028 Mus musculus 1
1672156 10.1021/jm00107a028 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine