Compound Detail
CHEMBL1514790
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CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL1514790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFKQBJHCEJBGQT-RZLJKOCPSA-N |
7
Targets
17
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
5.83
ALogP
3
HBA
3
HBD
36.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.06
EC50 8 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.61 | 5.61 | 2445.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.32 | 5.32 | 4797.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.23 | 5.145 | 5860.0 | 4 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 5.19 | 5.19 | 6410.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.15 | 5.15 | 7119.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.06 | 5.06 | 8670.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.73 | 4.5014 | 18760.0 | 7 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.36 | 4.36 | 44100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine