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Compound Detail

CHEMBL471897

MB07811
🧪 Phase II
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🧪 Phase II
Cc1cc(OCP2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471897
Name MB07811
Phase Phase II
Structure Type MOL
InChI Key LGGPZDRLTDGYSQ-GYKKGXIBSA-N
Active Moiety CHEMBL471488

Known Names

Mb-07811 Mb07811 Vk-2809 VK2809
2
Targets
4
Activities
1
Assay Types
30
PK Parameters
10
Publications
4
Known Names
3
Indications
1
Mechanisms

Molecular Properties

515.0
MW (Da)
8.08
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Prodrug

Extended Properties

Molecular Formula C28H32ClO5P
MW 514.99
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.06

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Thyroid hormone receptor beta-1 agonist AGONIST Thyroid hormone receptor beta ✓ ✓

Indications

Hypercholesterolemia Hyperlipidemias Non-alcoholic Fatty Liver Disease

Activity Summary

Ki 4 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thyroid hormone receptor beta
CHEMBL1947
 Ki 6.22 5.53 600.0 2
Thyroid hormone receptor alpha
CHEMBL1860
 Ki 4.9 4.9 12500.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 260.0 ng.hr.mL-1 Rattus norvegicus
AUC 26.0 ng.hr.mL-1 Rattus norvegicus
AUC 260.0 ng.hr.mL-1 Rattus norvegicus
AUC 26.0 ng.hr.mL-1 Rattus norvegicus
AUC 340.0 ng.hr.mL-1 Rattus norvegicus
AUC 135.0 ng.hr.mL-1 Rattus norvegicus
CL 193.33 mL.min-1.kg-1 Rattus norvegicus
CL 192.5 mL.min-1.kg-1 Rattus norvegicus
Cmax 1.03 nM Rattus norvegicus
Cmax 1165.07 nM Rattus norvegicus
Cmax 23.3 nM Rattus norvegicus
Cmax 1165.07 nM Rattus norvegicus
Cmax 23.3 nM Rattus norvegicus
Cmax 178.64 nM Rattus norvegicus
Cmax 34.95 nM Rattus norvegicus
F 39.0 % Rattus norvegicus
F 9.9 % Rattus norvegicus
F 39.2 % Rattus norvegicus
MRT 1.2 hr Rattus norvegicus
MRT 2.49 hr Rattus norvegicus
MRT 4.49 hr Rattus norvegicus
MRT 7.91 hr Rattus norvegicus
T1/2 1.23 hr Rattus norvegicus
T1/2 0.95 hr Rattus norvegicus
T1/2 1.23 hr Rattus norvegicus
T1/2 0.95 hr Rattus norvegicus
T1/2 8.82 hr Rattus norvegicus
T1/2 9.25 hr Rattus norvegicus
Tmax 1.5 hr Rattus norvegicus
Tmax 2.1 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thyroid hormone receptor beta Ki = 600.0 nM 6.22 Binding affinity to TRbeta1 22512468
Thyroid hormone receptor alpha Ki = 12500.0 nM 4.9 Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha express... 17878314
Thyroid hormone receptor alpha Ki = 12500.0 nM 4.9 Binding affinity to TRalpha1 22512468
Thyroid hormone receptor beta Ki = 14600.0 nM 4.84 Displacement of [125I]T3 from recombinant thyroid hormone receptor beta expresse... 17878314

Literature References

PubMed DOI Target Context # Activities
17878314 10.1073/pnas.0702759104 Rattus norvegicus 38
18975928 10.1021/jm800824d Rattus norvegicus 29
17878314 10.1073/pnas.0702759104 Mus musculus 20
17878314 10.1073/pnas.0702759104 ADMET 3
17878314 10.1073/pnas.0702759104 Hepatocyte 2
17878314 10.1073/pnas.0702759104 Thyroid hormone receptor beta 1
17878314 10.1073/pnas.0702759104 Thyroid hormone receptor alpha 1
22512468 10.1021/jm2004706 Rattus norvegicus 1
22512468 10.1021/jm2004706 Thyroid hormone receptor beta 1
22512468 10.1021/jm2004706 Thyroid hormone receptor alpha 1

Data from ChEMBL 36 via Core Engine