Compound Detail
CHEMBL3113974
TRANIMILAST 🧪 Phase II
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🧪 Phase II
CS(=O)(=O)Nc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCC1CC1
Basic Information
| ChEMBL ID | CHEMBL3113974 |
| Name | TRANIMILAST |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VCFBPAOSTLMYIV-SANMLTNESA-N |
1
Targets
3
Activities
1
Assay Types
6
PK Parameters
15
Publications
5
Known Names
2
Indications
1
Mechanisms
Molecular Properties
687.5
MW (Da)
6.32
ALogP
8
HBA
1
HBD
127.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Phosphodiesterase 4 inhibitor | INHIBITOR | Phosphodiesterase 4 | ✓ | ✓ |
Indications
Asthma Pulmonary Disease, Chronic Obstructive
Activity Summary
IC50 3 meas. best 10.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 10.59 | 10.4033 | 0.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.95 | hr | Homo sapiens |
| T1/2 | 2.867 | hr | Rattus norvegicus |
| T1/2 | 20.0 | hr | Homo sapiens |
| T1/2 | 20.0 | hr | Homo sapiens |
| T1/2 | 4.667 | hr | Homo sapiens |
| T1/2 | 3.15 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 0.026 | nM | 10.59 | Inhibition of PDE4 in human U937 cell lysate using cAMP as substrate by LANCE as... | 32255344 |
| Phosphodiesterase 4 | IC50 | = | 0.04 | nM | 10.4 | Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP ... | 24400806 |
| Phosphodiesterase 4 | IC50 | = | 0.06 | nM | 10.22 | Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced ... | 24400806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24400806 | 10.1021/jm401549m | Cavia porcellus | 7 |
| 24400806 | 10.1021/jm401549m | ADMET | 7 |
| 24400806 | 10.1021/jm401549m | Unchecked | 7 |
| 24400806 | 10.1021/jm401549m | Plasma | 2 |
| 24400806 | 10.1021/jm401549m | Molecular identity unknown | 2 |
| 24400806 | 10.1021/jm401549m | Phosphodiesterase 4 | 2 |
| 24400806 | 10.1021/jm401549m | Lung | 1 |
| 24400806 | 10.1021/jm401549m | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 24400806 | 10.1021/jm401549m | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 24400806 | 10.1021/jm401549m | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 24400806 | 10.1021/jm401549m | Phosphodiesterase 3 | 1 |
| 24400806 | 10.1021/jm401549m | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 24400806 | 10.1021/jm401549m | Caco-2 | 1 |
| 24400806 | 10.1021/jm401549m | No relevant target | 1 |
| 32255344 | 10.1021/acs.jmedchem.9b02170 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine