General Information of the Compound
Compound ID
CP0843267
Compound Name
5-(3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzyl)imidazolidine-2,4-dione
    Show/Hide
Structure
Formula
C19H18Br2N2O4
Molecular Weight
498.171
Canonical SMILES
CC(C)c1cc(Oc2c(Br)cc(CC3NC(=O)NC3=O)cc2Br)ccc1O
    Show/Hide
InChI
InChI=1S/C19H18Br2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,15,24H,7H2,1-2H3,(H2,22,23,25,26)
    Show/Hide
InChIKey
GDJGCPWBLBITAY-UHFFFAOYSA-N
Physicochemical Property
logP
4.5834
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
87.66
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24936123
SID: 53834189
ChEMBL ID
CHEMBL263631
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01591, Thyroid hormone receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 8.4 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 128 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 17 nM
Protein ID: PT01018, Thyroid hormone receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 32 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 421 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 18.4 nM