DEMOTENSIN 2 [125969]
DEMOTENSIN 2
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChIKey | DMDCNLGMRLTMHD-PLXGHWBHSA-N |
Chemical Properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 15 |
| Rotatable bonds | 37 |
| Log P | -2.988 |
| Molecular weight (Da) | 1017.7 |
| Stereochemistry info | partial |
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 |
DEMOTENSIN 2
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