| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C37H41N9O3S |
| Molecular Weight | 691.86 |
| AlogP | 5.27 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 134.16 |
| Molecular species | None |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 50.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | MAP kinase ERK1 inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C8
|
- | 3500 | - | - | - | |
|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | 1700 | - | - | - | |
|
Enzyme
Kinase
Protein Kinase
CMGC protein kinase group
CMGC protein kinase MAPK family
CMGC protein kinase ERK subfamily
|
- | 20 | - | - | 100 | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | - | - | - | -3.5-16 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Colorectal Neoplasms | 1 | D015179 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3545001 |
CONTENTS