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Compound Detail

CHEMBL55338

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O=c1[nH]c2c([nH]c3ccccc32)c(=O)n1CCN1CCN(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55338
Phase Preclinical
Structure Type MOL
InChI Key HUDMBZHNXRZFAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
2.65
ALogP
5
HBA
2
HBD
77.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN5O2
MW 423.90
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
1648138 10.1021/jm00110a014 Alpha-1A adrenergic receptor 1
1648138 10.1021/jm00110a014 5-hydroxytryptamine receptor 1A 1
1648138 10.1021/jm00110a014 Adrenergic receptor alpha-2 1
1648138 10.1021/jm00110a014 Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine