Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL71356

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL71356
Phase Preclinical
Structure Type MOL
InChI Key BRRFCLVJGYVEQO-YFXXHVASSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.2
MW (Da)
2.47
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20INO4
MW 429.25
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.53

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monkey
CHEMBL614874
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monkey IC50 = 100.0 nM 7.0 Concentration inhibiting [3H]cocaine binding to rat striatal membranes. 1613745

Literature References

PubMed DOI Target Context # Activities
1613745 10.1021/jm00090a005 ADMET 19
1613745 10.1021/jm00090a005 Monkey 2

Data from ChEMBL 36 via Core Engine