Compound Detail
CHEMBL3236549
JNJ-39758979 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3236549 |
| Name | JNJ-39758979 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | COOGVHJHSCBOQT-MRVPVSSYSA-N |
6
Targets
19
Activities
3
Assay Types
30
PK Parameters
20
Publications
4
Known Names
2
Indications
Molecular Properties
221.3
MW (Da)
0.72
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Arthritis, Rheumatoid Asthma
Activity Summary
Ki 13 meas. best 8.28
Kd 5 meas. best 8.3
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL5657 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| Histamine H4 receptor CHEMBL5657 | Ki | 8.28 | 8.28 | 5.3 | 2 |
| Histamine H4 receptor CHEMBL5657 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.92 | 7.91 | 12.0 | 4 |
| Histamine H4 receptor CHEMBL3759 | Kd | 7.9 | 7.9 | 12.6 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.6 | 7.6 | 25.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 7.5 | 7.5 | 31.6 | 1 |
| Histamine H4 receptor CHEMBL4468 | Kd | 7.2 | 7.2 | 63.1 | 1 |
| Histamine H4 receptor CHEMBL4468 | Ki | 6.73 | 6.73 | 188.0 | 2 |
| Histamine H4 receptor CHEMBL1255160 | Ki | 6.51 | 6.51 | 306.0 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.98 | 5.98 | 1043.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 309.83 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 723.68 | ng.hr.mL-1 | Mus musculus |
| AUC | 2144.49 | ng.hr.mL-1 | Mus musculus |
| AUC | 5444.23 | ng.hr.mL-1 | Mus musculus |
| AUC | 309.83 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 537.78 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2963.34 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 15768.34 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 40754.24 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1482.78 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 6993.4 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 2.2 | L/hr | Rattus norvegicus |
| CL | 40.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 91.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 23.33 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 300.0 | nM | Rattus norvegicus |
| Cmax | 790.0 | nM | Mus musculus |
| Cmax | 5030.0 | nM | Mus musculus |
| Cmax | 260.0 | nM | Rattus norvegicus |
| Cmax | 1250.0 | nM | Rattus norvegicus |
| Cmax | 4910.0 | nM | Rattus norvegicus |
| Cmax | 7070.0 | nM | Rattus norvegicus |
| Cmax | 3900.0 | nM | Canis lupus familiaris |
| F | 36.0 | % | Rattus norvegicus |
| F | 84.0 | % | Mus musculus |
| F | 75.0 | % | Mus musculus |
| F | 35.0 | % | Rattus norvegicus |
| F | 38.0 | % | Rattus norvegicus |
| F | 51.0 | % | Rattus norvegicus |
| F | 53.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine