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Compound Detail

CHEMBL463140

ETHYL LANOSOL
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CCOCc1cc(O)c(O)c(Br)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463140
Name ETHYL LANOSOL
Phase Preclinical
Structure Type MOL
InChI Key KEOOZBGAPIEERQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

326.0
MW (Da)
3.16
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10Br2O3
MW 325.98
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.09

Activity Summary

IC50 2 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HCT-116
CHEMBL394
 IC50 5.6 5.6 2510.0 1
DLD-1
CHEMBL614285
 IC50 4.87 4.87 13500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HCT-116 IC50 = 2510.0 nM 5.6 Cytotoxicity against human HCT116 cells after 96 hrs by MTT assay 15387639
DLD-1 IC50 = 13500.0 nM 4.87 Cytotoxicity against human DLD1 cells after 96 hrs by MTT assay 15387639

Literature References

PubMed DOI Target Context # Activities
15387639 10.1021/np0305268 DLD-1 1
15387639 10.1021/np0305268 HCT-116 1
11809064 10.1021/np010319c Tyrosine-protein kinase Fyn 1
11809064 10.1021/np010319c Tyrosine-protein kinase ABL1 1
11809064 10.1021/np010319c Adapter molecule crk 1
11809064 10.1021/np010319c Growth factor receptor-bound protein 2 1

Data from ChEMBL 36 via Core Engine