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

CHEMBL340490

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
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(C(=O)N2CCCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340490
Phase Preclinical
Structure Type MOL
InChI Key MTNYJYSOHIAIMC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.9
MW (Da)
3.01
ALogP
7
HBA
2
HBD
117.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21ClN4O5
MW 456.89
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.16

Activity Summary

Ki 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyroid hormone receptor beta
CHEMBL1947
 Ki 8.72 8.72 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thyroid hormone receptor beta Ki = 1.9 nM 8.72 Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor 12565933

Literature References

PubMed DOI Target Context # Activities
12565933 10.1016/s0960-894x(02)00947-2 Thyroid hormone receptor beta 1
12565933 10.1016/s0960-894x(02)00947-2 Thyroid hormone receptor 1

Data from ChEMBL 36 via Core Engine