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Compound Detail

CHEMBL59801

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O=C(c1cccc(CN2CCN(CCO)CC2)c1)N1CCCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59801
Phase Preclinical
Structure Type MOL
InChI Key DRBAAJDUTMDNTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
1.81
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.88
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 C20H31N3O2
MW 345.49
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
9622541 10.1021/jm970164z Rattus norvegicus 1
9622541 10.1021/jm970164z D(2) dopamine receptor 1
9622541 10.1021/jm970164z 5-hydroxytryptamine receptor 1A 1
9622541 10.1021/jm970164z Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine