Compound Detail
CHEMBL165180
PACHYPODOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL165180 |
| Name | PACHYPODOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQFUXLQBMQGNRT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
2.90
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 17200.0 | nM | 4.76 | Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of ... | 21275386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1847431 | 10.1021/jm00106a039 | Enterovirus C | 4 |
| 18163582 | 10.1021/np0704349 | NON-PROTEIN TARGET | 2 |
| 26928423 | 10.1021/acs.jnatprod.5b01054 | Plasmodium falciparum | 2 |
| 1847431 | 10.1021/jm00106a039 | Vero | 1 |
| 1847431 | 10.1021/jm00106a039 | ADMET | 1 |
| 469554 | 10.1021/np50001a002 | L1210 | 1 |
| 11141110 | 10.1021/np000124p | Bacillus subtilis | 1 |
| 11141110 | 10.1021/np000124p | Candida albicans | 1 |
| 11141110 | 10.1021/np000124p | Escherichia coli | 1 |
| 11141110 | 10.1021/np000124p | Mycolicibacterium smegmatis | 1 |
| 11141110 | 10.1021/np000124p | Pseudomonas aeruginosa | 1 |
| 11141110 | 10.1021/np000124p | Staphylococcus aureus | 1 |
| 21275386 | 10.1021/np100797y | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
| 26928423 | 10.1021/acs.jnatprod.5b01054 | Vero | 1 |
| 26928423 | 10.1021/acs.jnatprod.5b01054 | KB | 1 |
| 36731248 | 10.1016/j.bmc.2023.117187 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine