Compound Detail
CHEMBL300841
TEMOCAPRILAT 🧪 Phase II
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🧪 Phase II
O=C(O)CN1C[C@@H](c2cccs2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O
Basic Information
| ChEMBL ID | CHEMBL300841 |
| Name | TEMOCAPRILAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KZVWEOXAPZXAFB-BQFCYCMXSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
6
Known Names
Molecular Properties
448.6
MW (Da)
2.49
ALogP
6
HBA
3
HBD
106.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 1 meas. best 8.44
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 3.6 | nM | 8.44 | Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 m... | 3669006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21474683 | 10.1124/dmd.110.037937 | Jejunum | 5 |
| 9067317 | - | ATP-binding cassette sub-family C member 2 | 2 |
| 3669006 | 10.1021/jm00394a009 | Angiotensin-converting enzyme | 1 |
| 15618677 | 10.2133/dmpk.17.253 | Solute carrier family 15 member 1 | 1 |
| 9765319 | - | Solute carrier organic anion transporter family member 1A1 | 1 |
| 11895100 | 10.1016/s0024-3205(01)01494-1 | ATP-dependent translocase ABCB1 | 1 |
| 21474683 | 10.1124/dmd.110.037937 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine