Compound Detail
CHEMBL28743
NORSPERMIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL28743 |
| Name | NORSPERMIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTBHHUPVCYLGQO-UHFFFAOYSA-N |
6
Targets
11
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
131.2
MW (Da)
-0.73
ALogP
3
HBA
3
HBD
64.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.3
Ki 3 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.3 | 6.175 | 500.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.29 | 5.29 | 5120.0 | 1 |
| Molecular identity unknown CHEMBL612546 | Ki | 5.14 | 5.14 | 7200.0 | 1 |
| T47D CHEMBL614361 | Ki | 5.02 | 5.02 | 9500.0 | 1 |
| Deoxyhypusine synthase CHEMBL2539 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 0.001 | 10'6/M | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 500.0 | nM | 6.3 | Growth inhibitory activity against L1210 cells (96h) | 9154970 |
| L1210 | IC50 | = | 900.0 | nM | 6.05 | Growth inhibitory activity against L1210 cells (48h) | 9154970 |
| Unchecked | Ki | = | 5120.0 | nM | 5.29 | Binding affinity to the mouse polyamine transporter on the L1210 cell surface | 12801231 |
| Molecular identity unknown | Ki | = | 7200.0 | nM | 5.14 | Binding affinity values for polyamine transporter was determined | 9154970 |
| T47D | Ki | = | 9500.0 | nM | 5.02 | Inhibition of spermidine transport determined in T-47D human breast cancer cells | 12951106 |
| Deoxyhypusine synthase | IC50 | = | 41000.0 | nM | 4.39 | In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase. | 7636868 |
| HeLa | IC50 | = | 100000.0 | nM | 4.0 | Ability to inhibit 50% growth of HeLa cells | 1875339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154970 | 10.1021/jm960849j | L1210 | 8 |
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| 1875339 | 10.1021/jm00112a016 | Nucleic Acid | 2 |
| 1875339 | 10.1021/jm00112a016 | HeLa | 2 |
| 7636868 | 10.1021/jm00016a008 | Deoxyhypusine synthase | 2 |
| 17869123 | 10.1016/j.bmc.2007.07.030 | ADMET | 2 |
| 17869123 | 10.1016/j.bmc.2007.07.030 | Unchecked | 2 |
| 9154970 | 10.1021/jm960849j | S-adenosylmethionine decarboxylase proenzyme 1 | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
| 26777298 | 10.1016/j.bmc.2016.01.016 | Unchecked | 1 |
| 533889 | 10.1021/jm00197a024 | No relevant target | 1 |
| 22560836 | 10.1016/j.bmc.2012.04.009 | Nucleic Acid | 1 |
| 17869123 | 10.1016/j.bmc.2007.07.030 | HCC1937 | 1 |
| 9154970 | 10.1021/jm960849j | Spermidine/spermine N(1)-acetyltransferase (SAT) | 1 |
| 9154970 | 10.1021/jm960849j | Unchecked | 1 |
| 9154970 | 10.1021/jm960849j | Molecular identity unknown | 1 |
| 1875339 | 10.1021/jm00112a016 | Calf thymus DNA | 1 |
| 12951106 | 10.1016/s0960-894x(03)00668-1 | T47D | 1 |
| 2329556 | 10.1021/jm00167a014 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine