CHEMBL2113290 [160616]
CHEMBL2113290
| SMILES | COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCN(CCCc2cccc(CCCN(CCCC(=O)NCC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)C(=O)OC(C)(C)C)c2)C(=O)OC(C)(C)C)CC1 |
| InChIKey | QKEYBWNMFDRKSP-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 16 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 30 |
| Log P | 9.445 |
| Molecular weight (Da) | 1210.6 |
| Stereochemistry info | unspecified |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL2113290
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0