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Compound Detail

CHEMBL46651

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O=C1C2CCCN2C(=O)N1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46651
Phase Preclinical
Structure Type MOL
InChI Key PDOCBLJTWVGXDE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
1.14
ALogP
6
HBA
0
HBD
90.2
PSA (Ų)
0.44
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 C18H23N5O4
MW 373.41
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.52

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
9171874 10.1021/jm960744g 5-hydroxytryptamine receptor 1A 1
9171874 10.1021/jm960744g Adrenergic receptor alpha-1 1
8893838 10.1021/jm960416g 5-hydroxytryptamine receptor 1A 1
8893838 10.1021/jm960416g Adrenergic receptor alpha-1 1
8893838 10.1021/jm960416g D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine