Compound Detail
CHEMBL507954
PIMELEA FACTOR P2 Enter ChEMBL ID:
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C=C(C)[C@]12C[C@@H](C)[C@@]34OC5(CCCCCCC[C@H](C)[C@H]6[C@H](C)[C@H](OC(=O)c7ccccc7)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2
Basic Information
| ChEMBL ID | CHEMBL507954 |
| Name | PIMELEA FACTOR P2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAPHKDDUYAWCMB-BLZWUUDBSA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
638.8
MW (Da)
4.52
ALogP
9
HBA
3
HBD
127.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 4.88 | 4.88 | 13220.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.78 | 4.78 | 16680.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.77 | 4.77 | 17030.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.75 | 4.75 | 17860.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.72 | 4.72 | 19120.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.71 | 4.71 | 19590.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.6 | 4.6 | 25180.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.59 | 4.59 | 25670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 13220.0 | nM | 4.88 | Cytotoxicity against human HT1080 cells after 48 hrs by MTT assay | 23558238 |
| U-937 | IC50 | = | 16680.0 | nM | 4.78 | Cytotoxicity against human U937 cells after 48 hrs by MTT assay | 23558238 |
| A549 | IC50 | = | 17030.0 | nM | 4.77 | Cytotoxicity against human A549 cells after 48 hrs by MTT assay | 23558238 |
| HL-60 | IC50 | = | 17860.0 | nM | 4.75 | Cytotoxicity against human HL60 cells after 48 hrs by MTT assay | 23558238 |
| HeLa | IC50 | = | 18300.0 | nM | 4.74 | Cytotoxicity against human HeLa cells after 48 hrs by MTT assay | 23558238 |
| HepG2 | IC50 | = | 19120.0 | nM | 4.72 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 23558238 |
| HCT-116 | IC50 | = | 19590.0 | nM | 4.71 | Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay | 23558238 |
| K562 | IC50 | = | 25180.0 | nM | 4.6 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 23558238 |
| NON-PROTEIN TARGET | IC50 | = | 25670.0 | nM | 4.59 | Cytotoxicity against human A375-S2 cells after 48 hrs by MTT assay | 23558238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9307570 | - | P388 | 3 |
| 4031900 | 10.1021/np50039a012 | Gambusia affinis | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | K562 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | U-937 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HL-60 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HT-1080 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | NON-PROTEIN TARGET | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | A549 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HCT-116 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HepG2 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | MCF7 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine