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Compound Detail

CHEMBL324665

CARAZOLOL
🧪 Phase II
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🧪 Phase II
CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324665
Name CARAZOLOL
Phase Phase II
Structure Type MOL
InChI Key BQXQGZPYHWWCEB-UHFFFAOYSA-N

Known Names

BM 51052 BM-51052 Carazolol Conducton Suacron
7
Targets
9
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

298.4
MW (Da)
3.06
ALogP
3
HBA
3
HBD
57.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -olol

Extended Properties

Molecular Formula C18H22N2O2
MW 298.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.05

Activity Summary

IC50 5 meas. best 4.5
Ki 3 meas. best 10.52
Kd 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
 Ki 10.52 10.23 0.0 2
Beta-1 adrenergic receptor
CHEMBL3440
 Ki 10.05 10.05 0.1 1
Unchecked
CHEMBL612545
 Kd 10.0 10.0 0.1 1
SK-MEL-28
CHEMBL614919
 IC50 4.5 4.5 31280.0 1
SK-MEL-5
CHEMBL614922
 IC50 4.47 4.47 33740.0 1
A-375
CHEMBL613859
 IC50 4.45 4.45 35420.0 1
Unchecked
CHEMBL612545
 IC50 4.21 4.21 61800.0 1
Dynamin-1
CHEMBL4958
 IC50 4.1 4.1 79700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor Ki = 0.03 nM 10.52 Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in... 31042379
Beta-1 adrenergic receptor Ki = 0.09 nM 10.05 Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed i... 31042379
Unchecked Kd = 0.1 nM 10.0 Dissociation constant against beta adrenergic receptor 6304313
Beta-2 adrenergic receptor Ki = 0.114 nM 9.94 Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation co... 18829308
SK-MEL-28 IC50 = 31280.0 nM 4.5 Antiproliferative activity against human SK-MEL-28 cells assessed as cell growth... 32216987
SK-MEL-5 IC50 = 33740.0 nM 4.47 Antiproliferative activity against human SK-MEL-5 cells assessed as cell growth ... 32216987
A-375 IC50 = 35420.0 nM 4.45 Antiproliferative activity against human A375 cells assessed as cell growth inhi... 32216987
Unchecked IC50 = 61800.0 nM 4.21 Inhibition of clathrin-mediated endocytosis in serum-starved human U2OS cells as... 36577213
Dynamin-1 IC50 = 79700.0 nM 4.1 Inhibition of phosphotidylserine liposome-stimulated Dynamin 1 (unknown origin) ... 36577213

Literature References

PubMed DOI Target Context # Activities
7932549 10.1021/jm00046a005 No relevant target 10
19397318 10.1021/jm9003945 No relevant target 5
32787074 10.1021/acs.jmedchem.0c00433 Staphylococcus aureus 3
18189348 10.1021/jm7014809 No relevant target 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
36577213 10.1016/j.ejmech.2022.115001 Unchecked 1
- 10.1016/S0960-894X(97)00046-2 Adrenergic receptor beta 1
32787074 10.1021/acs.jmedchem.0c00433 Erythrocyte 1
32216987 10.1016/j.bmc.2020.115404 A-375 1
32216987 10.1016/j.bmc.2020.115404 SK-MEL-28 1
32216987 10.1016/j.bmc.2020.115404 SK-MEL-5 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
31042379 10.1021/acs.jmedchem.9b00349 Beta-2 adrenergic receptor 1
31042379 10.1021/acs.jmedchem.9b00349 Beta-1 adrenergic receptor 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
24249037 10.1007/s11095-013-1232-z No relevant target 1
18656910 10.1021/jm800227h No relevant target 1
18829308 10.1016/j.bmcl.2008.09.046 Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine