Compound Detail
CHEMBL256907
MARAVIROC 💊 Approved Drug
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💊 Approved Drug
Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL256907 |
| Name | MARAVIROC |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GSNHKUDZZFZSJB-QUMGSSFMSA-N |
| Therapeutic | ✓ Yes |
10
Targets
92
Activities
4
Assay Types
30
PK Parameters
20
Publications
6
Known Names
20
Indications
1
Mechanisms
Molecular Properties
513.7
MW (Da)
5.95
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.47
QED
2
Ro5 Violations
8
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 |
|---|---|---|---|---|
| C-C chemokine receptor type 5 antagonist | ANTAGONIST | C-C chemokine receptor type 5 | ✓ | ✓ |
Indications
HIV Infections HIV Infections Virus Diseases Acquired Immunodeficiency Syndrome Infections AIDS Dementia Complex Arthritis, Rheumatoid Cognitive Dysfunction Graft vs Host Disease Hematologic Neoplasms Hodgkin Disease Leukemia, Lymphocytic, Chronic, B-Cell Leukemia, Myelogenous, Chronic, BCR-ABL Positive Lymphoma, Follicular Lymphoma, Large B-Cell, Diffuse Myelodysplastic Syndromes Sarcoma, Kaposi Severe Acute Respiratory Syndrome Stroke Hypertriglyceridemia
ATC Classification
J05AX09
maraviroc
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE
Drug Warnings
Black Box Warning
hepatotoxicity
Activity Summary
IC50 63 meas. best 9.7
EC50 25 meas. best 9.52
Ki 3 meas. best 9.62
Kd 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 9.7 | 8.77 | 0.2 | 20 |
| Unchecked CHEMBL612545 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| C-C chemokine receptor type 5 CHEMBL274 | Ki | 9.62 | 9.62 | 0.2 | 1 |
| C-C chemokine receptor type 5 CHEMBL3217397 | Ki | 9.62 | 9.62 | 0.2 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.52 | 8.6329 | 0.3 | 24 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 9.52 | 8.3963 | 0.3 | 27 |
| C-C chemokine receptor type 5 CHEMBL274 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| C-C chemokine receptor type 5 CHEMBL3676 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| C-C chemokine receptor type 5 CHEMBL274 | Kd | 7.6 | 7.6 | 25.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.51 | 5.17 | 3100.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.11 | 4.5367 | 7750.0 | 3 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.84 | 4.84 | 14400.0 | 1 |
| Multidrug and toxin extrusion protein 1 CHEMBL1743126 | IC50 | 4.76 | 4.76 | 17300.0 | 1 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) CHEMBL2221347 | IC50 | 4.2 | 4.2 | 63095.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 583.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 12.4 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 12.4 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2099.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1761.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 1238.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 12.4 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 567.17 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 20.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 74.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 9.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 6.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 53.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 21.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 137.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 74.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 49.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 1233.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 350.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 74000.0 | mL.min-1.g-1 | Rattus norvegicus |
| Cmax | 10.71 | nM | Rattus norvegicus |
| Cmax | 10.71 | nM | Rattus norvegicus |
| Cmax | 498.36 | nM | Canis lupus familiaris |
| Cmax | 10.71 | nM | Rattus norvegicus |
| F | 42.0 | % | Canis lupus familiaris |
| F | 6.0 | % | Rattus norvegicus |
| F | 6.0 | % | Rattus norvegicus |
| F | 6.0 | % | Rattus norvegicus |
| F | 40.0 | % | Canis lupus familiaris |
| F | 6.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine