CHEMBL4098853 [315079]
CHEMBL4098853
| SMILES | CCCn1c(=O)c2[nH]c(-c3cnn(CC4CC(=O)N(c5ccc(C(=O)O)cc5)C4)c3)nc2n(CCC)c1=O |
| InChIKey | PTNLYZKNZPURKZ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 2.321 |
| Molecular weight (Da) | 519.2 |
| 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 |
CHEMBL4098853
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