Compound Detail
CHEMBL1415108
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Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2c1
Basic Information
| ChEMBL ID | CHEMBL1415108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSMNGCVIJNQDAI-CLFJUMGRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.18
ALogP
6
HBA
2
HBD
118.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 5.14 | 5.14 | 7160.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.01 | 5.01 | 9850.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.93 | 4.93 | 11770.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine aminopeptidase | IC50 | = | 7160.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Aminopeptidase N | IC50 | = | 9850.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 11770.92 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
Data from ChEMBL 36 via Core Engine