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Compound Detail

CHEMBL3989927

IBERDOMIDE
🧪 Phase III
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🧪 Phase III
O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3989927
Name IBERDOMIDE
Phase Phase III
Structure Type MOL
InChI Key IXZOHGPZAQLIBH-NRFANRHFSA-N

Known Names

CC-220 Iberdomida Iberdomide
9
Targets
17
Activities
3
Assay Types
13
PK Parameters
20
Publications
3
Known Names
2
Indications
1
Mechanisms

Molecular Properties

449.5
MW (Da)
1.86
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -domide
USAN Year 2016

Extended Properties

Molecular Formula C25H27N3O5
MW 449.51
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.54

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
CRL4(CRBN) E3 ubiquitin ligase modulator MODULATOR CRL4(CRBN) E3 ubiquitin ligase ✓ ✓

Indications

Multiple Myeloma Renal Insufficiency

Activity Summary

IC50 13 meas. best 9.34
EC50 3 meas. best 9.3
Ki 1 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 beta
CHEMBL1909490
 IC50 9.34 9.34 0.5 1
Protein cereblon/Aiolos
CHEMBL4296167
 EC50 9.3 9.3 0.5 1
Tumor necrosis factor
CHEMBL1825
 IC50 9.23 9.23 0.6 1
Cereblon/Ikaros
CHEMBL4296103
 EC50 9.0 9.0 1.0 1
Zinc finger protein Aiolos
CHEMBL4739707
 EC50 9.0 9.0 1.0 1
Unchecked
CHEMBL612545
 IC50 8.68 8.025 2.1 6
Protein cereblon
CHEMBL3763008
 IC50 7.89 6.6367 12.8 3
MM1.S
CHEMBL4296471
 IC50 7.89 7.89 13.0 1
Protein cereblon/DNA damage-binding protein 1
CHEMBL4630734
 IC50 7.77 7.77 17.0 1
Protein cereblon
CHEMBL3763008
 Ki 5.31 5.31 4940.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 1812.0 ng.hr.mL-1 Mus musculus
AUC 1936.0 ng.hr.mL-1 Mus musculus
CL 43.5 mL.min-1.kg-1 Mus musculus
CL 6.1 mL.min-1.kg-1 Homo sapiens
Cmax 4584.99 nM Mus musculus
F 22.8 % Mus musculus
F 56.0 % Homo sapiens
Fu 0.06 - Homo sapiens
MRT 0.73 hr Mus musculus
T1/2 0.97 hr Mus musculus
T1/2 1.917 hr Homo sapiens
T1/2 12.43 hr Homo sapiens
Tmax 0.14 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 beta IC50 = 0.46 nM 9.34 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Protein cereblon/Aiolos EC50 = 0.5 nM 9.3 Induction of cereblon-mediated aiolos degradation in human DF15 cells expressing... 28425720
Tumor necrosis factor IC50 = 0.59 nM 9.23 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Cereblon/Ikaros EC50 = 1.0 nM 9.0 Induction of cereblon-mediated ikaros degradation in human DF15 cells expressing... 28425720
Zinc finger protein Aiolos EC50 = 1.0 nM 9.0 Induction of ePL tagged Aiolos degradation in human DF15 cells incubated for 4 h... 37991844
Unchecked IC50 = 2.1 nM 8.68 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Unchecked IC50 = 2.2 nM 8.66 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Unchecked IC50 = 3.8 nM 8.42 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
MM1.S IC50 = 13.0 nM 7.89 Antiproliferative activity against human MM1S cells measured after 168 hrs by Ce... 31125896
Protein cereblon IC50 = 12.8 nM 7.89 Inhibition of N-terminal fused Nano Luc CRBN in HEK293T cells by NanoBRET CRBN e... 38389883
Unchecked IC50 = 13.0 nM 7.89 Immunomodulatory activity in human MM cells 34974338
Protein cereblon/DNA damage-binding protein 1 IC50 = 17.0 nM 7.77 Displacement of Cy5-labeled tracer CC0782985 from 6His-tagged CRBN (1 to 442 res... 37991844
Unchecked IC50 = 28.0 nM 7.55 cytomteric bead array (CBA) assay: The Fix buffer I was warmed up to 37° C. in a... -
Protein cereblon IC50 = 60.0 nM 7.22 Displacement of cy5-conjugated 2-((1E,3E,5Z)-5-(1-(6-((4-(2-((2-(2,6-Dioxopiperi... 28425720
Unchecked IC50 = 111.6 nM 6.95 Antiproliferative activity against human Mino cells measured after 72 hrs by Cel... 31125896
Protein cereblon Ki = 4940.0 nM 5.31 Binding affinity to human CRBN-thalidomide binding domain expressed in Escherich... 33488967
Protein cereblon IC50 = 16000.0 nM 4.8 Binding affinity to human CRBN-thalidomide binding domain expressed in Escherich... 33488967

Literature References

PubMed DOI Target Context # Activities
31125896 10.1016/j.ejmech.2019.05.035 ADMET 12
34795877 10.1021/acsmedchemlett.1c00475 ADMET 7
28425720 10.1021/acs.jmedchem.6b01921 Cereblon/Ikaros 3
28425720 10.1021/acs.jmedchem.6b01921 Protein cereblon/Aiolos 3
31125896 10.1016/j.ejmech.2019.05.035 RPMI-8226 3
38389883 10.1039/d3md00652b ADMET 3
37991844 10.1021/acs.jmedchem.3c01848 Eukaryotic peptide chain release factor GTP-binding subunit ERF3A 2
37991844 10.1021/acs.jmedchem.3c01848 Zinc finger protein Aiolos 2
38389883 10.1039/d3md00652b DNA-binding protein Ikaros 2
34795877 10.1021/acsmedchemlett.1c00475 No relevant target 2
34795877 10.1021/acsmedchemlett.1c00475 Cereblon/Ikaros 2
33488967 10.1021/acsmedchemlett.0c00440 Protein cereblon 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
31125896 10.1016/j.ejmech.2019.05.035 MV4-11 1
31125896 10.1016/j.ejmech.2019.05.035 Unchecked 1
31125896 10.1016/j.ejmech.2019.05.035 MM1.S 1
28425720 10.1021/acs.jmedchem.6b01921 Protein cereblon 1
28425720 10.1021/acs.jmedchem.6b01921 Protein cereblon/GSPT1 1

Data from ChEMBL 36 via Core Engine