[125I]CGP42112 [7618]
[125I]CGP42112
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(=O)O |
| InChIKey | UXGNARZDONUMMK-LRMQDCNJSA-N |
| Sequence | YKRHPI |
| HELM | PEPTIDE1{[*C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cccnc2 |$_R2;;;;;;;;;;;;;;;;;;;;$|].K.H.P.I}|PEPTIDE2{[*C(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1 |$_R2;;;;;;;;;;;;;;;;;;;;;$|]}$PEPTIDE1,PEPTIDE2,2:R3-1:R2$$$ |
Chemical Properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 11 |
| Rotatable bonds | 29 |
| Log P | 1.305 |
| Molecular weight (Da) | 1051.5 |
| Stereochemistry info | partial |
| Radioactive | 125I |
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 |
[125I]CGP42112
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0