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Pomalidomide

AlkaPlorer ID: AK094988

Synonym: None

IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Structure

SMILES: NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O

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InChI: InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)

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InChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-N

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Reference

PubChem CID: 134780

CAS: 19171-19-8

NPASS: NPC489313

COCONUT: CNP0470098

Source

Species Genus Family Order Class Phylum Kingdom Domain
Leucetta chagosensis Leucetta Leucettidae Clathrinida Calcarea Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 273.248

TPSA？: 109.57

MolLogP？: -0.3299999999999998

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A-375 IC50 10000.0 nM 10.1016/j.ejmech.2020.112903
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens BXPC-3 IC50 30000.0 nM 10.1021/acs.jmedchem.0c01897
Homo sapiens CDGSH iron-sulfur domain-containing protein 1 IC50 nan None 10.1016/j.bmcl.2016.09.009
Homo sapiens CDGSH iron-sulfur domain-containing protein 1 Ki nan None 10.1016/j.bmcl.2016.09.009
Homo sapiens CDK12/Cyclin K Activity nan None 10.1016/j.ejmech.2021.114012
Homo sapiens Cereblon/Aiolos Activity 13.0 % 10.1021/acsmedchemlett.1c00368
Homo sapiens Cereblon/Aiolos Activity 18.0 % 10.1021/acs.jmedchem.9b01928
Homo sapiens Cereblon/Aiolos Activity nan None 10.1016/j.ejmech.2019.01.023
Homo sapiens Cereblon/Aiolos Activity nan None 10.1021/acs.jmedchem.6b01921
Homo sapiens Cereblon/Aiolos EC50 22.0 nM 10.1021/acs.jmedchem.6b01921
Homo sapiens Cereblon/BCR/ABL Activity -1.82 % 10.1016/j.ejmech.2022.114810
Homo sapiens Cereblon/BCR/ABL DC50 10.0 uM 10.1016/j.ejmech.2021.113645
Homo sapiens Cereblon/Bromodomain-containing protein 4 Activity nan None 10.1016/j.bmc.2019.115228
Homo sapiens Cereblon/Casein kinase I alpha Inhibition nan % 10.1021/acs.jmedchem.9b00454
Homo sapiens Cereblon/Focal adhesion kinase 1 Activity nan None 10.1021/acsmedchemlett.9b00372
Homo sapiens Cereblon/GSPT1 DC50 10.0 uM 10.1039/d2md00347c
Homo sapiens Cereblon/GSPT1 Emax 10.0 % 10.1039/d2md00347c
Homo sapiens Cereblon/Histone deacetylase 6 Activity -2.0 % 10.1021/acs.jmedchem.9b00516
Homo sapiens Cereblon/Histone deacetylase 6 Activity 22.1 % 10.1021/acs.jmedchem.9b00516
Homo sapiens Cereblon/Ikaros Activity 13.0 % 10.1021/acsmedchemlett.1c00368
Homo sapiens Cereblon/Ikaros Activity nan None 10.1016/j.ejmech.2019.01.023
Homo sapiens Cereblon/Ikaros Activity nan None 10.1021/acs.jmedchem.6b01921
Homo sapiens Cereblon/Ikaros Activity nan None 10.1039/C9MD00185A
Homo sapiens Cereblon/Ikaros DC50 26.7 nM 10.1021/acsmedchemlett.1c00475
Homo sapiens Cereblon/Ikaros DC50 50.0 nM 10.1039/d2md00347c
Homo sapiens Cereblon/Ikaros EC50 24.0 nM 10.1021/acs.jmedchem.6b01921
Homo sapiens Cereblon/Ikaros Emax 89.0 % 10.1039/d2md00347c
Homo sapiens Cereblon/Ikaros fEC50 111.0 nM 10.1021/acsmedchemlett.1c00475
Homo sapiens Cereblon/Ikaros Ratio 4.6 None 10.1039/C9MD00185A
Homo sapiens Cereblon/Protein-tyrosine phosphatase 2C Activity nan None 10.1016/j.ejmech.2021.113341
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DNA-binding protein Ikaros Activity 100.0 % 10.1021/acs.jmedchem.1c00270
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens E3 ubiquitin-protein ligase ZFP91 DC50 0.42 uM 10.1021/acs.jmedchem.0c01897
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Eukaryotic peptide chain release factor GTP-binding subunit ERF3A Activity nan None 10.1021/acs.jmedchem.1c00270
Homo sapiens Eukaryotic peptide chain release factor GTP-binding subunit ERF3A Activity nan None 10.1021/acsmedchemlett.2c00223
Homo sapiens Hematopoietic prostaglandin D synthase Activity nan None 10.1021/acsmedchemlett.0c00605
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -3.62 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 31.88 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens IC50 25.0 nM 10.1016/s0960-894x(99)00250-4
Homo sapiens HUVEC Inhibition 21.0 % 10.1016/j.bmcl.2005.08.086
Homo sapiens JeKo-1 IC50 2617.33 nM 10.1016/j.ejmech.2022.114459
Homo sapiens JeKo-1 IC50 20000.0 nM 10.1016/j.ejmech.2022.114459
Homo sapiens K562 IC50 10000.0 nM 10.1016/j.ejmech.2021.113645
Homo sapiens K562 IC50 10000.0 nM 10.1016/j.ejmech.2022.114810
Homo sapiens KARPAS-299 IC50 10000.0 nM 10.1021/acs.jmedchem.1c00270
Homo sapiens MCF7 IC50 100000.0 nM 10.1016/j.ejmech.2021.114013
Homo sapiens MDA-MB-231 IC50 100000.0 nM 10.1016/j.ejmech.2021.114013
Homo sapiens MIA PaCa-2 IC50 30000.0 nM 10.1021/acs.jmedchem.0c01897
Homo sapiens MM1.S Activity nan None 10.1021/acs.jmedchem.9b00516
Homo sapiens MM1.S IC50 21.93 nM 10.1016/j.ejmech.2022.114459
Homo sapiens MM1.S IC50 837.8 nM 10.1016/j.ejmech.2022.114459
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens NCI-H929 CC50 35.0 nM 10.1016/j.ejmech.2019.01.023
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens PBMC IC50 13.0 nM 10.1016/j.bmcl.2012.10.071
Homo sapiens PBMC IC50 13.0 nM 10.1016/s0960-894x(99)00250-4
Homo sapiens PBMC Inhibition 95.0 % 10.1016/s0960-894x(99)00250-4
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4 Inhibition 50.0 % 10.1016/s0960-894x(99)00250-4
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Programmed cell death protein 1/Programmed cell death 1 ligand 1 IC50 10.0 nM 10.1016/j.ejmech.2020.112377
Homo sapiens Protein cereblon Activity nan None 10.1016/j.ejmech.2019.01.023
Homo sapiens Protein cereblon IC50 739.0 nM 10.1039/d2md00347c
Homo sapiens Protein cereblon IC50 1200.0 nM 10.1021/acs.jmedchem.6b01921
Homo sapiens Protein cereblon IC50 25800.0 nM 10.1021/acsmedchemlett.0c00440
Homo sapiens Protein cereblon Ki 10000.0 nM 10.1021/acsmedchemlett.0c00440
Homo sapiens Protein cereblon/CDK9 Activity nan None 10.1016/j.bmcl.2021.128061
Homo sapiens Protein cereblon/Cyclin-dependent kinase 6 Activity nan None 10.1016/j.bmcl.2019.03.035
Homo sapiens Protein cereblon/Cyclin-dependent kinase 6 Activity nan None 10.1021/acs.jmedchem.9b00871
Homo sapiens Protein cereblon/Cyclin-dependent kinase 7 Activity nan None 10.1016/j.bmcl.2021.128061
Homo sapiens Protein cereblon/DNA damage-binding protein 1 EC50 9.0 nM 10.1021/acsmedchemlett.2c00223
Homo sapiens Protein cereblon/Phosphodiesterase 6D Activity nan None 10.1021/acs.jmedchem.0c00929
Homo sapiens RPMI-8226 TGI 46.0 % 10.1021/acs.jmedchem.8b00961
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens THP-1 Activity 7500.0 pg/ml 10.1021/acs.jnatprod.7b01006
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 26653.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens VHL/CDK6 Activity 76.0 % 10.1021/acsmedchemlett.1c00368
Homo sapiens VHL/CDK6 Activity nan None 10.1021/acsmedchemlett.1c00368
Homo sapiens VHL/Cyclin-dependent kinase 4 Activity 70.0 % 10.1021/acsmedchemlett.1c00368
Homo sapiens VHL/Cyclin-dependent kinase 4 Activity nan None 10.1021/acsmedchemlett.1c00368
Homo sapiens Zinc finger protein Aiolos Activity 100.0 % 10.1021/acs.jmedchem.1c00270
Magnetospirillum gryphiswaldense Cereblon isoform 4 Ki 800.0 nM 10.1021/acs.jmedchem.9b00454
Mus musculus B16-F10 IC50 10000.0 nM 10.1016/j.ejmech.2020.112903
Mus musculus RAW264.7 Activity 91.0 % 10.1016/j.bmcl.2022.128972
Mus musculus RAW264.7 Activity 95.0 % 10.1016/j.bmcl.2022.128972
Rattus norvegicus Cereblon/Glycogen synthase kinase-3 beta Activity 108.7 % 10.1016/j.ejmech.2020.112949
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Rattus norvegicus Inhibition 5.5 % 10.1021/jm0304820
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.3563 None 10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index -0.01474 None 10.1101/2020.04.03.023846
None ADMET Drug metabolism nan None 10.1021/acs.jmedchem.0c00793
None ADMET Drug uptake nan None 10.1016/j.bmc.2021.116331
None ADMET F 410.0 % 10.1021/acsmedchemlett.1c00475
None ADMET Fu 0.9 None 10.1021/acsmedchemlett.1c00475
None ADMET IC50 230.0 nM 10.1016/s0960-894x(03)00778-9
None ADMET Kp 4.5 None 10.1021/acsmedchemlett.1c00475
None ADMET Papp 24.9 10^-6 cm/s 10.1021/acsmedchemlett.1c00475
None ADMET Ratio 1.1 None 10.1021/acsmedchemlett.1c00475
None ADMET T1/2 2.333 hr 10.1021/acs.jmedchem.0c00793
None ADMET T1/2 2.65 hr 10.1021/acsmedchemlett.1c00475
None ADMET T1/2 3.1 hr 10.1021/acsmedchemlett.1c00475
None NON-PROTEIN TARGET IC50 30.0 nM 10.1016/j.bmcl.2012.10.071
None NON-PROTEIN TARGET Potency 4727.7 nM None
None NON-PROTEIN TARGET Potency 5304.5 nM None
None No relevant target LogD 0.787 None 10.1021/acsmedchemlett.1c00475
None No relevant target Log S -4.44 None 10.1021/acs.jmedchem.2c00201
None No relevant target Solubility 78000.0 nM 10.1021/acsmedchemlett.1c00475
None T-cell EC50 8.0 nM 10.1016/j.bmcl.2012.10.071
None Unchecked Activity 18.4 % 10.1021/acs.jnatprod.0c00350
None Unchecked Activity 43.0 % 10.1021/acs.jnatprod.0c00350
None Unchecked Activity 85.0 % 10.1021/acs.jmedchem.6b01911
None Unchecked Activity nan None 10.1016/j.ejmech.2020.112800
None Unchecked Activity nan None 10.1016/j.ejmech.2021.114013
None Unchecked Activity nan None 10.1021/acs.jmedchem.1c01206
None Unchecked Activity nan None 10.1021/acs.jmedchem.1c01476
None Unchecked Activity nan None 10.1021/acs.jmedchem.9b01928
None Unchecked EC50 27.0 nM 10.1021/acs.jmedchem.6b01911
None Unchecked EC50 10000.0 nM 10.1021/acs.jmedchem.6b01911
None Unchecked GI nan None 10.1021/acs.jnatprod.0c00350
None Unchecked IC50 35.0 nM 10.1016/j.ejmech.2021.114053
None Unchecked IC50 1270.0 nM 10.1016/j.bmcl.2007.01.088
None Unchecked IC50 16518.0 nM 10.1016/j.ejmech.2022.114459
None Unchecked Kd 157.0 nM 10.1021/acs.jmedchem.9b00455
None Unchecked TIME 15.0 hr 10.1016/j.ejmech.2021.113353
None Unchecked TIME 18.0 hr 10.1016/j.ejmech.2021.113353

Metabolism Information