Compound Detail
CHEMBL3504179
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CC(C)CN1C[C@H]2CCN(Cc3cccnc3)CC[C@H]2S1(=O)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3504179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCLQOZMLHBPIMC-QAPNYFPESA-N |
| Parent Compound | CHEMBL3557342 |
| Active Moiety | CHEMBL3557342 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
1.96
ALogP
4
HBA
0
HBD
53.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 5 |
| - | 10.6019/CHEMBL3988442 | Trypanosoma cruzi | 4 |
| - | 10.6019/CHEMBL3988442 | Histidine--tRNA ligase | 2 |
| - | 10.6019/CHEMBL3988442 | Tyrosyl-tRNA synthetase, putative | 2 |
| - | 10.6019/CHEMBL3988442 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3988442 | Proteasome subunit beta | 1 |
| - | 10.6019/CHEMBL3507680 | Unchecked | 1 |
| - | 10.6019/CHEMBL3988442 | Ubiquitin-activating enzyme e1, putative | 1 |
| - | 10.6019/CHEMBL3988442 | Sialic acid-binding Ig-like lectin 9 | 1 |
| - | 10.6019/CHEMBL3988442 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL3988442 | Arginase-2, mitochondrial | 1 |
| - | 10.6019/CHEMBL3988442 | Chromo domain-containing protein 1 | 1 |
| - | 10.6019/CHEMBL3988442 | AMP-activated protein kinase, AMPK | 1 |
| - | 10.6019/CHEMBL3988442 | Shiga toxin 2 | 1 |
| - | 10.6019/CHEMBL3988442 | Tryptophan--tRNA ligase | 1 |
| - | 10.6019/CHEMBL3988442 | Protein translocase subunit SecA | 1 |
| - | 10.6019/CHEMBL3988442 | Leishmania donovani | 1 |
| - | 10.6019/CHEMBL3988442 | Aspartate--tRNA(Asp/Asn) ligase | 1 |
| - | 10.6019/CHEMBL3988442 | ClpP1P2 | 1 |
| - | 10.6019/CHEMBL3988442 | Coenzyme A biosynthesis bifunctional protein CoaBC | 1 |
Data from ChEMBL 36 via Core Engine