General Information of the Compound
Compound ID
CP0003304
Compound Name
191732-72-6
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Synonyms
3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione
3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione
3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione
3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
AK-47482
ALBB-015321
CC 5013
CC-5013
CC-5013, Revlimid, Lenalidomide
CC5013
CDC 501
CDC-501
CDC-5013
Celgene brand of lenalidomide
ENMD-0997
IMID-5013
IMiD3
IMiD3cpd
Lenalidomide
Lenalidomide (CC-5013)
Lenalidomide (Immunomodulator)
Lenalidomide (USAN/INN)
Lenalidomide [USAN]
NCGC00167491-01
Revamid
Revimid
Revlimid
Revlimid (Celgene)
Revlimid (TN)
Thalidomide analog CC-5013
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Structure
Formula
C13H13N3O3
Molecular Weight
259.265
Canonical SMILES
Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O
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InChI
InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
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InChIKey
GOTYRUGSSMKFNF-UHFFFAOYSA-N
CAS
191732-72-6
346670-73-3
443912-14-9
Physicochemical Property
logP
0.0298
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
92.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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).

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PubChem ID
CID: 216326
SID: 14847985
ChEMBL ID
CHEMBL848
DrugBank ID
DB00480
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: PT01462, Bromodomain-containing protein 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 5190 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Lenalidomide )
Drug Name Lenalidomide
Company Celgene Corporation
Indication
Multiple myeloma
Approved
Target(s)
Tumor necrosis factor (TNF)
 Target Info 
Inhibitor
Drug 2 ( Lenalidomide )
Drug Name Lenalidomide
Indication
Coronavirus Disease 2019 (COVID-19)
Phase 3