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Compound Detail

CHEMBL74759

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O=C1NCCN1CCN1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL74759
Phase Preclinical
Structure Type MOL
InChI Key UDITWTWTSUFHQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
0.83
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.87
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 C16H24N4O
MW 288.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
2903929 10.1021/jm00120a003 Rattus norvegicus 2
2903929 10.1021/jm00120a003 Mus musculus 1
2903929 10.1021/jm00120a003 Serotonin 2 (5-HT2) receptor 1
2903929 10.1021/jm00120a003 D(2) dopamine receptor 1
2903929 10.1021/jm00120a003 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine