Compound Detail
CHEMBL6063426
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CC[C@H](Cc1ccccc1)[C@@H]1/C=C\C/C=C\C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL6063426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQNBLZMXMMTTQN-YCOAWTNKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
623.8
MW (Da)
4.34
ALogP
8
HBA
2
HBD
130.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A CHEMBL1902 | Kd | 9.47 | 9.18 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1A | Kd | = | 0.34 | nM | 9.47 | Binding of Compounds to FKBP12: The binding of compounds of the invention to FKB... | - |
| Peptidyl-prolyl cis-trans isomerase FKBP1A | Kd | = | 1.3 | nM | 8.89 | SPR Protocol to Measure Binding of a Compound to FKBP12: This protocol utilizes ... | - |
Data from ChEMBL 36 via Core Engine