JMV458 [4346]
JMV458
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O |
| InChIKey | KOHSYJYVCLITLX-OLPQHFNPSA-N |
| Sequence | RRPWIL |
| HELM | PEPTIDE1{[*C(=O)[C@H](CCCNC(=N)N)NC(=O)OC(C)(C)C |$_R2;;;;;;;;;;;;;;;;;;$|].R.P.W.I.L}$$$$ |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 11 |
| Rotatable bonds | 25 |
| Log P | 0.818 |
| Molecular weight (Da) | 939.6 |
| Stereochemistry info | partial |
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 |
JMV458
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