Compound Detail
CHEMBL1077542
NORBATZELLADINE L Enter ChEMBL ID:
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CCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)OC(C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N65)[C@@H](C)N=C(N1)N23
Basic Information
| ChEMBL ID | CHEMBL1077542 |
| Name | NORBATZELLADINE L |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGZBYTYKEVODQE-LZBHNGPDSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
1
Known Names
Molecular Properties
639.0
MW (Da)
7.31
ALogP
8
HBA
2
HBD
81.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| LLC-MK2 CHEMBL614691 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 400.0 | nM | 6.4 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1/C... | 19743809 |
| Leishmania infantum | IC50 | = | 2000.0 | nM | 5.7 | Antileishmanial activity against promastigote stage of Leishmania infantum MHOM/... | 25924111 |
| Trypanosoma cruzi | IC50 | = | 7000.0 | nM | 5.16 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma cruzi Y as... | 25924111 |
| LLC-MK2 | IC50 | = | 85000.0 | nM | 4.07 | Cytotoxicity against rhesus monkey LLC-MK2 cells assessed as inhibition of cell ... | 25924111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25924111 | 10.1021/acs.jnatprod.5b00070 | Leishmania infantum | 5 |
| 19743809 | 10.1021/np900244g | MDA-MB-231 | 3 |
| 19743809 | 10.1021/np900244g | A549 | 3 |
| 19743809 | 10.1021/np900244g | HT-29 | 3 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | Trypanosoma cruzi | 2 |
| 19743809 | 10.1021/np900244g | Plasmodium falciparum | 1 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | Unchecked | 1 |
| 25924111 | 10.1021/acs.jnatprod.5b00070 | LLC-MK2 | 1 |
Data from ChEMBL 36 via Core Engine