Compound Detail
CHEMBL463175
CEPHALOCHROMIN Enter ChEMBL ID:
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CC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)CC6=O)c(O)cc(O)c3c2O)O1
Basic Information
| ChEMBL ID | CHEMBL463175 |
| Name | CEPHALOCHROMIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGQBYBXYRUCBQY-UHFFFAOYSA-N |
19
Targets
27
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
4.60
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 17 meas. best 5.83
EC50 10 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.46 | 6.46 | 348.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.43 | 5.21 | 373.0 | 3 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.3 | 6.3 | 501.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.0 | 6.0 | 991.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.83 | 5.83 | 1491.9 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.8 | 5.8 | 1570.0 | 1 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI CHEMBL1857 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.57 | 5.425 | 2720.0 | 2 |
| SW1353 CHEMBL614944 | IC50 | 5.45 | 5.45 | 3540.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.33 | 5.1567 | 4640.0 | 3 |
| Caco-2 CHEMBL614058 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Glucagon receptor CHEMBL1985 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.68 | 4.68 | 21100.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.66 | 4.66 | 21700.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.57 | 4.57 | 26700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.5567 | 26958.0 | 3 |
| Botulinum neurotoxin type A CHEMBL5344 | IC50 | 4.54 | 4.54 | 29200.0 | 1 |
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 4.36 | 4.36 | 43860.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.19 | 4.19 | 64890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24588135 | 10.1021/np400517g | A549 | 37 |
| 24900483 | 10.1021/ml200312s | Botulinum neurotoxin type A | 5 |
| 24588135 | 10.1021/np400517g | NON-PROTEIN TARGET | 3 |
| 15387654 | 10.1021/np040093o | Glucagon receptor | 1 |
| 24588135 | 10.1021/np400517g | Caco-2 | 1 |
| 24588135 | 10.1021/np400517g | SW1353 | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | 1 |
Data from ChEMBL 36 via Core Engine