Compound Detail
CHEMBL461821
HETEROPHYLLIN Enter ChEMBL ID:
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CC(C)=CCc1c(-c2cc(O)c(O)cc2O)oc2c(CC=C(C)C)c3c(c(O)c2c1=O)C=CC(C)(C)O3
Basic Information
| ChEMBL ID | CHEMBL461821 |
| Name | HETEROPHYLLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBYLXVCMCVXUQQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
6.48
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.31 | 4.305 | 48700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 48700.0 | nM | 4.31 | Antiplatelet activity against rabbit platelets assessed as collagen-induced plat... | 8864236 |
| NON-PROTEIN TARGET | IC50 | = | 49800.0 | nM | 4.3 | Antiplatelet activity against rabbit platelets assessed as arachidonic acid-indu... | 8864236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8864236 | 10.1021/np960376j | NON-PROTEIN TARGET | 6 |
| 25537111 | 10.1021/np500734t | AGS | 1 |
Data from ChEMBL 36 via Core Engine