Compound Detail
CHEMBL46257
PUTRESCINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL46257 |
| Name | PUTRESCINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | KIDHWZJUCRJVML-UHFFFAOYSA-N |
2
Targets
11
Activities
3
Assay Types
1
PK Parameters
20
Publications
2
Known Names
1
Indications
Molecular Properties
88.2
MW (Da)
-0.32
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Cicatrix
Activity Summary
IC50 5 meas.
Ki 5 meas. best 5.89
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | Ki | 5.89 | 5.89 | 1280.0 | 1 |
| T47D CHEMBL614361 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 16.0 | uM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | Ki | = | 1280.0 | nM | 5.89 | Inhibition of [3H]spermidine transport into MDA-MB-231 (human breast cancer) cel... | 11606128 |
| T47D | Ki | = | 7400.0 | nM | 5.13 | Inhibition of [3H]putrescine transport by the compound was evaluated in T-47D hu... | 10397506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1542099 | 10.1021/jm00082a013 | SV3T3 | 20 |
| 1542099 | 10.1021/jm00082a013 | HT-29 | 16 |
| 1542099 | 10.1021/jm00082a013 | L1210 | 8 |
| 19648006 | 10.1016/j.bmcl.2009.07.086 | J774 | 6 |
| 10397506 | 10.1016/s0960-894x(99)00262-0 | T47D | 3 |
| 2362277 | 10.1021/jm00169a025 | Ornithine decarboxylase | 3 |
| 18558490 | 10.1016/j.bmc.2008.05.069 | CHO | 2 |
| 19821610 | 10.1021/jm901063e | U-937 | 2 |
| 19821610 | 10.1021/jm901063e | P19 | 2 |
| 1875339 | 10.1021/jm00112a016 | HeLa | 2 |
| 1875339 | 10.1021/jm00112a016 | Nucleic Acid | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 1542099 | 10.1021/jm00082a013 | Homo sapiens | 1 |
| 12951106 | 10.1016/s0960-894x(03)00668-1 | T47D | 1 |
| 11738568 | 10.1016/s0960-894x(01)00659-x | Unchecked | 1 |
| 2909729 | 10.1021/jm00121a031 | S-adenosylmethionine decarboxylase proenzyme | 1 |
| 7473562 | 10.1021/jm00021a024 | Ornithine decarboxylase | 1 |
| 16392808 | 10.1021/jm050018q | Phosphodiesterase 1 | 1 |
| 12801231 | 10.1021/jm020598g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine