Compound Detail
CHEMBL68350
BULLATALICIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@H](O)[C@@H]2CC[C@@H](CCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1
Basic Information
| ChEMBL ID | CHEMBL68350 |
| Name | BULLATALICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKMBLJVHVBJAIH-OVKYLHECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
638.9
MW (Da)
6.83
ALogP
8
HBA
4
HBD
125.7
PSA (Ų)
0.06
QED
2
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.75 | 4.75 | 17660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 17660.0 | nM | 4.75 | Inhibition of Streptococcus pneumoniae recombinant HMGR class II expressed in Es... | 21550257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10096871 | 10.1021/np980406d | Blattella germanica | 6 |
| 9207950 | 10.1021/jm9700169 | ADMET | 2 |
| 9207950 | 10.1021/jm9700169 | NCI/ADR-RES | 1 |
| 2199608 | 10.1021/np50068a001 | Artemia | 1 |
| 2199608 | 10.1021/np50068a001 | NON-PROTEIN TARGET | 1 |
| 2199608 | 10.1021/np50068a001 | A549 | 1 |
| 2199608 | 10.1021/np50068a001 | HT-29 | 1 |
| 2199608 | 10.1021/np50068a001 | Agrobacterium tumefaciens | 1 |
| 2199608 | 10.1021/np50068a001 | MCF7 | 1 |
| 10096871 | 10.1021/np980406d | X5563 | 1 |
| 10096871 | 10.1021/np980406d | Aedes aegypti | 1 |
| 18598079 | 10.1021/np800191t | A2780 | 1 |
| 21550257 | 10.1016/j.bmc.2011.04.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine