Compound Detail
CHEMBL51
KETANSERIN 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL51 |
| Name | KETANSERIN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FPCCSQOGAWCVBH-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
29
Targets
121
Activities
4
Assay Types
30
PK Parameters
20
Publications
13
Known Names
3
Indications
Molecular Properties
395.4
MW (Da)
2.42
ALogP
5
HBA
1
HBD
75.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Hypertension Acute Kidney Injury Diabetic Foot
ATC Classification
C02KD01
ketanserin
Level 1: CARDIOVASCULAR SYSTEM
Level 2: ANTIHYPERTENSIVES
Activity Summary
Ki 67 meas. best 9.64
IC50 41 meas. best 9.46
Kd 12 meas. best 9.55
EC50 1 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.64 | 9.1421 | 0.2 | 14 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Kd | 9.55 | 9.21 | 0.3 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 9.46 | 8.3782 | 0.3 | 17 |
| Unchecked CHEMBL612545 | Ki | 9.4 | 9.01 | 0.4 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 9.4 | 8.7757 | 0.4 | 7 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Kd | 9.38 | 8.99 | 0.4 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.33 | 8.9033 | 0.5 | 15 |
| Rattus norvegicus CHEMBL376 | Ki | 9.17 | 8.785 | 0.7 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 8.98 | 8.98 | 1.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.92 | 8.68 | 1.2 | 6 |
| Serotonin receptor 2a and 2c (5HT2A and 5HT2C) CHEMBL2111383 | Ki | 8.92 | 8.81 | 1.2 | 3 |
| 5-hydroxytryptamine receptor 2A CHEMBL2490 | Kd | 8.88 | 8.88 | 1.3 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 8.87 | 8.87 | 1.3 | 2 |
| Serotonin receptor 2a and 2c (5HT2A and 5HT2C) CHEMBL2111383 | Kd | 8.86 | 8.86 | 1.4 | 1 |
| Histamine H1 receptor CHEMBL3943 | Kd | 8.85 | 8.85 | 1.4 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.58 | 8.12 | 2.6 | 4 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 8.09 | 7.945 | 8.1 | 2 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Histamine H1 receptor CHEMBL3943 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.36 | 7.18 | 43.6 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Synaptic vesicular amine transporter CHEMBL1893 | Ki | 7.11 | 6.4933 | 77.0 | 3 |
| Synaptic vesicular amine transporter CHEMBL4295886 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Synaptic vesicular amine transporter CHEMBL1893 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.66 | 6.4733 | 220.0 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 6.58 | 6.575 | 260.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Kd | 6.1 | 6.1 | 794.3 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.9 | 5.89 | 1258.9 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.75 | 5.75 | 1800.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.74 | 5.7233 | 1817.0 | 3 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| 5-hydroxytryptamine receptor 5A CHEMBL3426 | Ki | 4.7 | 4.7 | 20000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 24.55 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 30.2 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 48.19 | mL.min-1.kg-1 | Homo sapiens |
| CL | 172.52 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 266.76 | mL.min-1.kg-1 | Mus musculus |
| CL | 55.27 | mL.min-1.kg-1 | Homo sapiens |
| CL | 41.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 282.75 | mL.min-1.kg-1 | Mus musculus |
| CL | 71.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 258.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 131.91 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 55.27 | mL.min-1.kg-1 | Homo sapiens |
| CL | 152.86 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 159.1 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 40.98 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 271280.0 | mL.min-1.g-1 | Mus musculus |
| CL | 0.051 | mL.min-1.g-1 | Homo sapiens |
| CL | 0.131 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 25.02 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.74 | mL.min-1.kg-1 | Homo sapiens |
| CL | 51.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 134.1 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 57.09 | mL.min-1.kg-1 | Homo sapiens |
| CL | 171.42 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 637.04 | mL.min-1.kg-1 | Mus musculus |
| CL | 88.9 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine