Compound Detail
CHEMBL1668121
PITIPROLAMIDE Enter ChEMBL ID:
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CCC[C@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)Cc2ccccc2)NC(=O)[C@@H]2CCN(C2)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL1668121 |
| Name | PITIPROLAMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXWVGNIGFWHVNG-PKDARXBTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
905.1
MW (Da)
3.63
ALogP
10
HBA
2
HBD
192.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Bacillus cereus CHEMBL613070 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 33000.0 | nM | 4.48 | Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay | 21138309 |
| MCF7 | IC50 | = | 33000.0 | nM | 4.48 | Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay | 21138309 |
| Bacillus cereus | IC50 | = | 70000.0 | nM | 4.16 | Antibacterial activity against Bacillus cereus ATCC 10987 by microtiter plate-ba... | 21138309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21138309 | 10.1021/np1006839 | Mycobacterium tuberculosis | 3 |
| 21138309 | 10.1021/np1006839 | Bacillus cereus | 2 |
| 21138309 | 10.1021/np1006839 | HCT-116 | 1 |
| 21138309 | 10.1021/np1006839 | MCF7 | 1 |
| 21138309 | 10.1021/np1006839 | Staphylococcus aureus | 1 |
| 21138309 | 10.1021/np1006839 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine