UCSF

ZINC01530947

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 19 No

Popular Name: Thalidomide Thalidomide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2614-06-4 , 50-35-1 , 50-35-1; 731-40-8 , 731-40-8 , 841-67-8 , [50-35-1]

Other Names:

( inverted question mark)-Thalidomide

(+)-Thalidomide

(+-)-N-(2,6-Dioxo-3-piperidyl)phthalimide; (+-)-Thalidomide; 1,3-Dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline; 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-; 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-, (+-)-; 2,6-Dioxo-3-phthalimi

(+-)-N-(2,6-dioxo-3-piperidyl)phthalimide; (+-)-thalidomide; 1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline; 2,6-dioxo-3-phthalimidopiperidine; 3-phthalimidoglutarimide; N-(2,6-dioxo-3-piperidyl)phthalimide; N-Phthalyl-glutaminsaeure-imid; N-phthaloylgl

(+-)-Thalidomide

(+-)-Thalidomide; LS-109463; Phthalimide, N-(2,6-dioxo-3-piperidyl)-, (+-)-; Thalidomide (+ and -)

(+/-)-Thalidomide

(-)-thalidomide; (S)-(-)-thalidomide; L-thalidomide; S-(-)-thalidomide; l-thalidomide

(-)-Thalidomide; 1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-, (S)-; LS-109465; NSC 91730; Phthalimide, N-(2,6-dioxo-3-piperidyl)-, (-)-; Phthalimide, N-(2,6-dioxo-3-piperidyl)-, L-(-)-; S-(-)-Thalidomide; Thalidomide, L-; l-Thalidomide

(?)-Thalidomide

(±)-N-(2,6-dioxo-3-piperidyl)phthalimide

(±)-thalidomide

(R)-(+)-Thalidomide

(S)-(-)-Thalidomide

(S)-thalidomide

domide

.alpha.-(N-Phthalimido)glutarimide

.alpha.-N-Phthalylglutaramide

.alpha.-Phthalimidoglutarimide

1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline

14088-68-7

1H-isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-

2,6-dioxo-3-phthalimidopiperidine

2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione

2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione

2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

2-(2,6-Dioxopiperidin-3-yl)isoindoline-1,3-dione

2-[(3S)-2,6-Dioxo-3-piperidinyl]-1H-isoindole-1,3(2H)-dione

3-Phthalimidoglutarimide

50-35-1

50-35-1; C07910; Thalidomide

50-35-1; CPD000058524; SAM002564245; Thalidomide

50-35-1; D00754; Thaled (TN); Thalidomide (JAN/USP/INN); Thalomid (TN)

50-35-1; Prestwick_463; Thalidomide

731-40-8

AB00052362

AC-917

AC1L1KBZ

AC1Q6FJA

AI3-50606

Algosediv

alpha-(N-Phthalimido)glutarimide

alpha-N-Phthalylglutaramide

alpha-phthalimidoglutarimide

alpha-Phthalimidoglutarimide;N-Phthalimidoglutamic acid imide;N-Phthaloylglutamimide;N-Phthalylglutamic acid imide;Thalidomine USP26

Asidon 3

Asmadion

Asmaval

BAN

Bio1_000387

Bio1_000876

Bio1_001365

Bio2_000418

Bio2_000898

Bonbrain

Bonbrrin

BPBio1_000159

BRD-A93255169-001-06-9

BRN 0030233

BSPBio_000143

BSPBio_001156

BSPBio_003330

C07910

C13H10N2O4

Calmore

Calmorex

CCRIS 8148

Celgene Brand of Thalidomide

CHEBI:105028

CHEMBL468

CID5426

cMAP_000022

Contergan

Corronarobetin

CPD000058524

CPD000058524; SAM002564245; Thalidomide

D00754

D013792

DAP000865

DB01041

Distaval

Distaval; K-17; Sedalis; Softenon; Talimol

Distaxal

Distoval

DivK1c_000051

E-217

Ectiluran

EINECS 200-031-1

ENMD 0995

Enterosediv

EU-0101224

FDA

Gastrinide

Glupan

Glutanon

Glutarimide, 2-phthalimido-

Grippex

Hippuzon

HMS1362J17

HMS1568H05

HMS1792J17

HMS1922E12

HMS1990J17

HMS2090O05

HMS2093G15

HMS500C13

HSDB 3586

I06-0197

IDI1_000051

IDI1_002173

Imida-Lab

Imidan

Imidan (peyta)

Imidene

IN1061

INN

Isomin

α-(N-phthalimido)glutarimide

α-N-phthalylglutaramide

α-phthalimidoglutarimide

K 17

K-17

KBio1_000051

KBio2_000496

KBio2_002322

KBio2_003064

KBio2_004890

KBio2_005632

KBio2_007458

KBio3_000911

KBio3_000912

KBio3_002550

KBio3_002802

KBioGR_000496

KBioGR_001474

KBioGR_002322

KBioSS_000496

KBioSS_002324

Kedavon

Kevadon

LS-109463

LS-140

Lulamin

MFCD00153873

MFCD00210219

MLS000069353

MolPort-003-665-582

N-(2,6-dioxo-3-piperidyl)phthalimide

N-Phthalimidoglutamic acid imide

N-Phthaloylglutamimide

N-Phthalyl-glutaminsaeure-imid

N-Phthalyl-glutaminsaeure-imid [German]

N-Phthalylglutamic acid imide

NCGC00015989-03

NCGC00015989-13

NCGC00024708-02

NCGC00024708-03

NCGC00024708-04

NCGC00024708-05

NCGC00024708-06

NCGC00024708-07

NCGC00024708-08

NCGC00024708-09

NCI60_023904

NCIOpen2_003188

Neaufatin

Neo

Neosedyn

Neosydyn

Nerosedyn

Neufatin

Neurodyn

Neurosedin

Neurosedym

Neurosedyn

Nevrodyn

Nibrol

NINDS_000051

Noctosediv

Noxodyn

NSC 527179

NSC-66847

NSC527179

NSC66847

NSC91729

NSC91730

OR-1446

Pangul

Pantosediv

Phthalimide, N-(2,6-dioxo-3-piperidyl)-

Poly-Giron

Polygripan

Predni-Sediv

Prestwick0_000192

Prestwick1_000192

Prestwick2_000192

Prestwick3_000192

Prestwick_463

Pro-Bam M

Pro-ban M

Profarmil

Psycholiquid

Psychotablets

Quetimid

Quietoplex

S1193_Selleck

SAM002564245

Sandormin

Sedalis

Sedalis sedi-lab

Sedimide

Sedin

Sedisperil

Sedoval

Shin-naito S

Shinnibrol

Sleepan

Slipro

SMR000058524

Softenil

Softenon

SPBio_000893

SPBio_002064

SPECTRUM1503607

Spectrum2_000707

Spectrum3_001715

Spectrum4_001087

Spectrum5_001791

ST51039042

Synovir

T144_SIGMA

T150_SIGMA

T151_SIGMA

Talargan

Talidomida

Talidomida [INN-Spanish]

talidomida; thalidomide; thalidomidum

Talidomide

Talidomide [DCIT]

Talimol

Talismol

Talizer

Telagan

Telargan

Telargean

Tensival

Thaled

Thaled (TN)

Thalidomide (+ and -)

THALIDOMIDE (AIDS INITIATIVE)

Thalidomide (BAN

Thalidomide (FDA

Thalidomide (JAN/USP/INN)

Thalidomide (soluble form)

Thalidomide Celgene

Thalidomide Pharmion

Thalidomide [USAN:INN:BAN]

Thalidomide;N-(2,6-Dioxopiperidin-3-yl)phthalimide

Thalidomidum

Thalidomidum [INN-Latin]

Thalidomine USP26

Thalin

Thalinette

Thalomid

Thalomid (TM)

Thalomid (TN)

Thalomid, Thalidomide

Thalomide

Theophilcholine

UNII-4Z8R6ORS6L

UPCMLD-DP139

UPCMLD-DP139:001

USAN

USP)

Valgis

Valgraine

WLN: T56 BVNVJ C- DT6VMVTJ

WLN: T56 BVNVJ C- DT6VMVTJ -D

WLN: T56 BVNVJ C- DT6VMVTJ -L

Yodomin

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) 0.34 2.64 -15.5 1 6 0 85 258.233 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.55e+00 g/l DrugBank-withdrawn
MP 269 - 271 °C Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% APIChem
Purity >99% Fluorochem
UniProt Database Links CRBN_DANRE; CRBN_HUMAN ChEBI
Target E3 Ligase ,TNF-alpha Selleck Chemicals
Therapy hypnotic SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : T-7743; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: T-7743; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH1-3-E Cyclooxygenase-1 (cluster #3 Of 6), Eukaryotic Eukaryotes 370 0.47 Binding ≤ 10μM
PGH2-3-E Cyclooxygenase-2 (cluster #3 Of 8), Eukaryotic Eukaryotes 500 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 370 0.47 Binding ≤ 1μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 500 0.46 Binding ≤ 1μM
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 370 0.47 Binding ≤ 10μM
PGH2_HUMAN P35354 Cyclooxygenase-2, Human 500 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
COX reactions
Nicotinamide salvaging
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)

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