Compound Detail
CHEMBL1111
AMBRISENTAN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1111 |
| Name | AMBRISENTAN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OUJTZYPIHDYQMC-LJQANCHMSA-N |
| Therapeutic | ✓ Yes |
5
Targets
16
Activities
3
Assay Types
0
PK Parameters
20
Publications
9
Known Names
12
Indications
1
Mechanisms
Molecular Properties
378.4
MW (Da)
3.52
ALogP
5
HBA
1
HBD
81.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2007 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Endothelin receptor, ET-A/ET-B antagonist | ANTAGONIST | Endothelin receptor, ET-A/ET-B | ✓ | ✓ |
Indications
Familial Primary Pulmonary Hypertension Hypertension Hypertension, Pulmonary Hypertension, Pulmonary Pulmonary Arterial Hypertension Idiopathic Pulmonary Fibrosis Vascular Diseases Altitude Sickness Asthma Hypoplastic Left Heart Syndrome Severe Acute Respiratory Syndrome Anemia, Sickle Cell
ATC Classification
C02KX02
ambrisentan
Level 1: CARDIOVASCULAR SYSTEM
Level 2: ANTIHYPERTENSIVES
Drug Warnings
Black Box Warning
teratogenicity
Activity Summary
IC50 12 meas. best 9.0
EC50 2 meas. best 4.5
Kd 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 9.0 | 8.33 | 1.0 | 2 |
| Endothelin receptor CHEMBL2111453 | Kd | 7.09 | 6.36 | 81.3 | 2 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 6.71 | 6.315 | 195.0 | 2 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 4.5 | 4.5 | 31600.0 | 2 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) CHEMBL2221347 | IC50 | 4.2 | 4.2 | 63095.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 20966043 | 10.1124/dmd.110.035105 | Nuclear receptor subfamily 1 group I member 2 | 6 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
Data from ChEMBL 36 via Core Engine