Compound Detail
CHEMBL411624
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
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL411624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKZWZKJTYJYJHQ-BAYAHZKWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
989.1
MW (Da)
-1.12
ALogP
12
HBA
12
HBD
365.8
PSA (Ų)
0.02
QED
3
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 5.31 | 5.31 | 4897.8 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | Kd | 5.19 | 5.19 | 6456.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 4897.79 | nM | 5.31 | Negative log of the dose of antagonist (compound) that reduces response of a dou... | 9379447 |
| Type-1 angiotensin II receptor | Kd | = | 6456.54 | nM | 5.19 | Dissociation constant for [125 I] Ang binding to type 1 Angiotensin II receptor ... | 9379447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379447 | 10.1021/jm9608669 | Type-1 angiotensin II receptor | 3 |
Data from ChEMBL 36 via Core Engine