Compound Detail
CHEMBL1232952
GIBBERELLIN A3 Enter ChEMBL ID:
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C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1232952 |
| Name | GIBBERELLIN A3 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXORZMNAPKEEDV-OBDJNFEBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
1.03
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | Kd | 6.67 | 6.67 | 216.0 | 1 |
| Transcription factor p65 CHEMBL5533 | Kd | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B p105 subunit | Kd | = | 216.0 | nM | 6.67 | Binding affinity to NF-kappaB p50 (unknown origin) by SPR analysis | 33062173 |
| Transcription factor p65 | Kd | = | 13000.0 | nM | 4.89 | Binding affinity to NF-kappaB RelA (unknown origin) by SPR analysis | 33062173 |
Literature References
Data from ChEMBL 36 via Core Engine