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Compound Detail

CHEMBL1203104

MEDROXALOL HYDROCHLORIDE
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CC(CCc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1203104
Name MEDROXALOL HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key YYWISFWLJSVFOF-UHFFFAOYSA-N
Parent Compound CHEMBL113278
Active Moiety CHEMBL113278

Known Names

Medroxalol hydrochloride NSC-313453 RMI 81,968 A RMI 81968 A RMI-81,968-A RMI-81968 A RMI-81968-A
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
7
Known Names

Molecular Properties

372.4
MW (Da)
1.86
ALogP
6
HBA
4
HBD
114.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -alol
USAN Year 1979

Extended Properties

Molecular Formula C20H25ClN2O5
MW 408.88
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.04

Activity Summary

Kd 3 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor beta
CHEMBL2094118
 Kd 7.82 7.82 15.1 1
Adrenergic receptor alpha-1
CHEMBL2094251
 Kd 6.08 6.08 831.8 1
Cavia porcellus
CHEMBL369
 Kd 5.63 5.63 2344.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor beta Kd = 15.14 nM 7.82 In vitro blocking activity against beta adrenergic receptor, isolated from guine... 6115059
Adrenergic receptor alpha-1 Kd = 831.76 nM 6.08 Compound was tested in vitro for Alpha adrenergic receptor blocking activity in ... 6115059
Cavia porcellus Kd = 2344.23 nM 5.63 spasmolytic activity in isolated guinea pig ileum preparation;- log KB; (Bacl2) 6115059

Literature References

PubMed DOI Target Context # Activities
6124636 10.1021/jm00348a013 Adrenergic receptor beta 2
6115059 10.1021/jm00135a017 Rattus norvegicus 2
6124636 10.1021/jm00348a013 Adrenergic receptor alpha 1
6115059 10.1021/jm00135a017 Adrenergic receptor alpha-1 1
6115059 10.1021/jm00135a017 Adrenergic receptor beta 1
6115059 10.1021/jm00135a017 Unchecked 1
6115059 10.1021/jm00135a017 Cavia porcellus 1
6115059 10.1021/jm00135a017 Adrenergic receptor alpha 1
6115059 10.1021/jm00135a017 Beta-1 adrenergic receptor 1
6115059 10.1021/jm00135a017 Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine