UCSF

ZINC01997127

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 19 No

Popular Name: Lenalidomide Lenalidomide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 191732-72-6 , 443912-14-9 , [191732-72-6]

Other Names:

"Lenalidomide, 98%"

(3S)-3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione

domide

1-oxo-2-(2,6-dioxopiperidin-3-yl)-4-aminoisoindoline; 3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione

191732-72-6

191732-72-6; D04687; Lenalidomide (USAN/INN); Revlimid (TN)

2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H- isoindol-2-yl)-

2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-

2,6-piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-, (3S)-

2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-; 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; CC 5013; CC-5013; CDC 501; LS-184040; Lenalidomide; Lenalidomid

3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2,6-piperidinedione

3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione

3-(4-Amino-1-oxo-1,3-dihydro-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

346670-73-3

443912-14-9

AC-914

AC1L50II

AKOS005146276

ALBB-015321

AMINOOXODIHYDROISOINDOLYLPIPERIDINEDION

Bio-0168

C467567

CC 5013

CC-4047

CC-5013

CC-5013, Revlimid, Lenalidomide

CC-5013; CDC-501

CC-5013;CDC 501;IMiD3

CC5013

CDC 501

CDC-501

CDC-5013

Celgene brand of lenalidomide

CHEMBL848

CID216326

D04687

D09813; Lenalidomide hydrate (JAN); Revlimid (TN)

DAP001255

DB00480

EC-000.2340

ENMD-0997

FDA

I06-0831

IMid-1

IMID-5013

IMiD3

IMiD3 cpd

INN

Ladevina

Lenalidomide (BAN

Lenalidomide (CC-5013)

Lenalidomide (USAN/INN)

Lenalidomide [USAN]

Lenalidomide; Revlimid

Lenangio

LS-184040

MFCD07772307

MFCD18064659

MFCD22207056

MolPort-003-848-370

NCGC00167491-01

NSC747972

OR-2352

Revamid

Revimid

Revlimid

Revlimid (Celgene)

Revlimid (lenalidomide)

Revlimid (TN)

Revlimid, Lenalidomide, CC-5013

S1029_Selleck

STK639603

Thalidomide analog CC-5013

UNII-F0P408N6V4

USAN)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.78 1.16 -21.16 3 6 0 93 259.265 1 ↓

Vendor Notes

Note Type Comments Provided By
mechanism . ZereneX Building Blocks
ALOGPS_SOLUBILITY 2.33e+00 g/l DrugBank-approved
MP 269-271° Matrix Scientific
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0925294A1; WO1998003502A1 IBM Patent Data
mechanism Inhibits the expression of cyclooxygenase-2 (COX-2) IBScreen Bioactives
mechanism Interfering with the immune system and angiogenesis IBScreen Bioactives IBScreen Bioactives
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Stored under Argon Matrix Scientific
Indications multiple myeloma, anticancer KeyOrganics Bioactives
Target TNF-alpha Selleck Chemicals
biological_use Used against multiple myeloma and myelodysplastic syndromes ZereneX Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-1-O Homo Sapiens (cluster #1 Of 1), Other Other 480 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 100 0.52 Binding ≤ 1μM
Z50587 Z50587 Homo Sapiens 100 0.52 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )