Compound Detail
CHEMBL91777
VALYLTRYPTOPHAN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL91777 |
| Name | VALYLTRYPTOPHAN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZDNBBYBDGBADK-KBPBESRZSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
1.26
ALogP
3
HBA
4
HBD
108.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.8
EC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 5.8 | 5.79 | 1584.9 | 3 |
| Solute carrier family 15 member 1 CHEMBL4605 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.18 | 4.18 | 65690.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1584.89 | nM | 5.8 | Biological activity was measured against Angiotensin I converting enzyme | 7629809 |
| Angiotensin-converting enzyme | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity on Angiotensin I converting enzyme (ACE) obtained from pig r... | 2913292 |
| Angiotensin-converting enzyme | IC50 | = | 1700.0 | nM | 5.77 | Inhibition against ACE. | 7966160 |
| Solute carrier family 15 member 1 | EC50 | = | 40000.0 | nM | 4.4 | Activation of human PEPT1 expressed in MDCK cells | 16759105 |
| Dipeptidyl peptidase 4 | IC50 | = | 65690.0 | nM | 4.18 | Inhibition of DPP4 (unknown origin) using Gly-Pro-pNA as substrate after 60 mins | 29609120 |
| Solute carrier family 15 member 1 | IC50 | = | 100000.0 | nM | 4.0 | Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in... | 16759105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 7966160 | 10.1021/jm00049a019 | Angiotensin-converting enzyme | 1 |
| 2913292 | 10.1021/jm00122a003 | Angiotensin-converting enzyme | 1 |
| 12061879 | 10.1021/jm0105833 | Thermolysin | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 25016232 | 10.1016/j.ejmech.2014.07.015 | Angiotensin-converting enzyme | 1 |
| 29609120 | 10.1016/j.ejmech.2018.03.041 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine