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Compound Detail

CHEMBL116504

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NC(=O)c1cc(C(O)CN2CCN(C(=O)c3ccco3)CC2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116504
Phase Preclinical
Structure Type MOL
InChI Key JMWHAMWFHARECC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
0.58
ALogP
6
HBA
3
HBD
120.2
PSA (Ų)
0.72
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 C18H21N3O5
MW 359.38
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
6115059 10.1021/jm00135a017 Rattus norvegicus 2
6115059 10.1021/jm00135a017 Adrenergic receptor alpha-1 1
6115059 10.1021/jm00135a017 Adrenergic receptor beta 1
6115059 10.1021/jm00135a017 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine