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Compound Detail

CHEMBL3989934

AVADOMIDE
🧪 Phase II
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🧪 Phase II
Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3989934
Name AVADOMIDE
Phase Phase II
Structure Type MOL
InChI Key RSNPAKAFCAAMBH-UHFFFAOYSA-N

Known Names

Avadomida Avadomide CC-122 CC122
8
Targets
13
Activities
3
Assay Types
13
PK Parameters
10
Publications
4
Known Names
8
Indications

Molecular Properties

286.3
MW (Da)
0.26
ALogP
6
HBA
2
HBD
107.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -domide
USAN Year 2016

Extended Properties

Molecular Formula C14H14N4O3
MW 286.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.55

Indications

Melanoma Carcinoma, Hepatocellular Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma, Follicular Lymphoma, Follicular Lymphoma, Large B-Cell, Diffuse Lymphoma, Non-Hodgkin Renal Insufficiency

Activity Summary

IC50 9 meas. best 7.47
EC50 3 meas. best 7.7
Ki 1 meas. best 4.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein Aiolos
CHEMBL4739707
 EC50 7.7 7.7 20.0 1
MM1.S
CHEMBL4296471
 EC50 7.66 7.66 21.9 1
Tumor necrosis factor
CHEMBL1825
 IC50 7.47 7.47 34.0 1
Interleukin-1 beta
CHEMBL1909490
 IC50 7.27 7.27 54.0 1
Unchecked
CHEMBL612545
 IC50 7.22 6.7425 60.0 4
Daudi
CHEMBL614281
 EC50 6.74 6.74 182.3 1
Protein cereblon/DNA damage-binding protein 1
CHEMBL4630734
 IC50 6.06 5.83 876.0 2
Protein cereblon
CHEMBL3763008
 Ki 4.78 4.78 16700.0 1
Protein cereblon
CHEMBL3763008
 IC50 4.41 4.41 38700.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 2586.0 ng.hr.mL-1 Mus musculus
AUC 33484.0 ng.hr.mL-1 Mus musculus
CL 6.5 mL.min-1.kg-1 Mus musculus
Cmax 4715.5 nM Mus musculus
Cmax 27479.13 nM Mus musculus
F 129.0 % Mus musculus
MRT 2.34 hr Mus musculus
MRT 3.73 hr Mus musculus
T1/2 2.0 hr Homo sapiens
T1/2 2.0 hr Macaca mulatta
T1/2 2.0 hr Rattus norvegicus
T1/2 1.99 hr Mus musculus
T1/2 2.01 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein Aiolos EC50 = 20.0 nM 7.7 Induction of ePL tagged Aiolos degradation in human DF15 cells incubated for 4 h... 37991844
MM1.S EC50 = 21.91 nM 7.66 Antiproliferative activity against human MM1.S cells assessed as reduction in ce... 36577219
Tumor necrosis factor IC50 = 34.0 nM 7.47 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Interleukin-1 beta IC50 = 54.0 nM 7.27 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Unchecked IC50 = 60.0 nM 7.22 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Unchecked IC50 = 62.0 nM 7.21 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Daudi EC50 = 182.3 nM 6.74 Antiproliferative activity against human Daudi cells assessed as reduction in ce... 36577219
Unchecked IC50 = 300.0 nM 6.52 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Protein cereblon/DNA damage-binding protein 1 IC50 = 876.0 nM 6.06 CRBN-DDB1 ligand-displacement AlphaScreen Assay: A thalidomide competition Alpha... -
Unchecked IC50 = 950.0 nM 6.02 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Protein cereblon/DNA damage-binding protein 1 IC50 = 2500.0 nM 5.6 Displacement of Cy5-labeled tracer CC0782985 from 6His-tagged CRBN (1 to 442 res... 37991844
Protein cereblon Ki = 16700.0 nM 4.78 Binding affinity to human CRBN-thalidomide binding domain expressed in Escherich... 33488967
Protein cereblon IC50 = 38700.0 nM 4.41 Binding affinity to human CRBN-thalidomide binding domain expressed in Escherich... 33488967

Literature References

PubMed DOI Target Context # Activities
36577219 10.1016/j.ejmech.2022.115016 ADMET 15
36577219 10.1016/j.ejmech.2022.115016 Zinc finger protein Aiolos 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
33488967 10.1021/acsmedchemlett.0c00440 Protein cereblon 2
36577219 10.1016/j.ejmech.2022.115016 DNA-binding protein Ikaros 2
37991844 10.1021/acs.jmedchem.3c01848 Zinc finger protein Aiolos 2
36577219 10.1016/j.ejmech.2022.115016 MM1.S 1
36577219 10.1016/j.ejmech.2022.115016 Daudi 1
36577219 10.1016/j.ejmech.2022.115016 HEK-293T 1
37991844 10.1021/acs.jmedchem.3c01848 Protein cereblon/DNA damage-binding protein 1 1

Data from ChEMBL 36 via Core Engine