Compound Detail
CHEMBL1276678
VTP-27999 Phase I
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Phase I
CN[C@H](CNC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1)C[C@H]1CCCOC1
Basic Information
| ChEMBL ID | CHEMBL1276678 |
| Name | VTP-27999 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | NXWASIVXQMMPLM-ZXMXYHOLSA-N |
1
Targets
4
Activities
1
Assay Types
2
PK Parameters
16
Publications
1
Known Names
Molecular Properties
525.1
MW (Da)
3.58
ALogP
6
HBA
3
HBD
101.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.52 | 9.2775 | 0.3 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.29 | - | Macaca fascicularis |
| Fu | 0.22 | - | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.3 | nM | 9.52 | Inhibition of human recombinant renin using H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-Hi... | 24900262 |
| Renin | IC50 | = | 0.47 | nM | 9.33 | Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His... | 24900262 |
| Renin | IC50 | = | 0.5 | nM | 9.3 | Inhibition of renin (unknown origin) | 25728416 |
| Renin | IC50 | = | 1.1 | nM | 8.96 | Inhibition of renin in human plasma assessed as formation of angiotensin1 produc... | 24900262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900262 | 10.1021/ml200137x | Renin | 3 |
| 24900262 | 10.1021/ml200137x | Plasma | 2 |
| 24900262 | 10.1021/ml200137x | Salmonella typhimurium | 2 |
| 24900262 | 10.1021/ml200137x | L5178Y | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 20731374 | 10.1021/jm901885s | Renin | 1 |
| 24900262 | 10.1021/ml200137x | Cytochrome P450 3A4 | 1 |
| 24900262 | 10.1021/ml200137x | Cathepsin E | 1 |
| 24900262 | 10.1021/ml200137x | Cathepsin D | 1 |
| 24900262 | 10.1021/ml200137x | Beta-secretase 1 | 1 |
| 24900262 | 10.1021/ml200137x | Rattus norvegicus | 1 |
| 25728416 | 10.1016/j.bmcl.2015.02.003 | Renin | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32247750 | 10.1016/j.bmc.2020.115466 | Renin | 1 |
Data from ChEMBL 36 via Core Engine