UCSF

ZINC03830999

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 23 No

Popular Name: Liothyronine Liothyronine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2/3/6893 12:00:00 AM , 20196-64-9 , 55-06-1 , 55-06-1, 6893-02-3 [lioth , 55-06-1, 6893-02-3 [liothyronine] , 6138-47-2 , 6893-02-3

Other Names:

(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid

(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propionate; 3,3',5-triiodo-L-thyronine anion; 3,3',5-triiodo-L-thyronine(1-); liothyronine anion; liothyronine(1-)

(S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid; 3,3',5-triiodo-L-thyronine

1xzx

20196-64-9

20196-64-9; D04743; Liothyronine I 131 (USAN); Triomet-131 (TN)

3,3',5'-Triiodo-L-thyronine; 3,3',5'-Triiodothyronine; 3,3',5-Triiodo-L-thyronine; 3,3',5-Triiodothyronine; 3,5,3'-Triiodothyronine; 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine; Cyronine; L-3,3',5-Triiodo-Thyronine; L-3,3',5-Triiodothyronine; L-3-

3,3',5'-Triiodo-L-thyronine;3,3',5'-Triiodothyronine;3,3',5-Triiodo-L-thyronine;3,3',5-Triiodothyronine;3,5,3'-Triiodothyronine;4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine;Cyronine;L-3,3',5-Triiodo-Thyronine;L-3,3',5-Triiodothyronine;L-3-[4-(4-Hyd

3,3',5-L-Triiodothyronine

3,3',5-triiodo-L-thyroninate

3,3',5-Triiodo-L-thyronine

3,3',5-Triiodo-L-thyronine sodium; 3,3',5-Triiodo-L-thyronine sodium salt; 3,3',5-Triiodothyronine sodium salt; Alanine, 3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-, monosodium salt, L-; Basoprocin; C15H11I3NO4.Na; CYTOMEL; Cynomel; Cytomel sodium

3,3',5-Triiodo-L-thyronine sodium; 3,3',5-Triiodothyronine sodium salt; Monosodium L-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine

3,3',5-triiodo-L-thyronine zwitterion

3,3',5-Triiodo-L-thyronine, 95%

3,3',5-Triiodo-L-thyronine; 3,3',5-Triiodothyronine; 3,3',5-Triiodothyronine, L-; 3,5,3'-Tri-iodo-L-thyronine; 3,5,3'-Triiodothyronine; 4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine; 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine; Alanine, 3-(4

3,3',5-Triiodothyronine

3,3',5-Triiodothyronine, L-

3,3'5-Triiodo-L-thyronine

3,3'5-Triiodo-L-thyronine; 3,5,3'-Triiodo-L-thyronine; 3,5,3'-Triiodothyronine; 6893-02-3; C02465; L-3,5,3'-Triiodothyronine; Liothyronine; T3; Triiodothyronine

3,5,3'-Tri-iodo-L-thyronine

3,5,3'-Triiodo-L-thyronine

3,5,3'-triiodo-L-thyronine; 3,5,3'-triiodothyronine; 4-(3-iodo-4-hydroxy-phenoxy)-3,5-diiodophenylalanine; 6893-02-3; L-3,5,3'-triiodothyronine; L-triiodothyronine; LIOTHYRONINE; T3; triiodothyronine; triothyrone

3,5,3'-triiodothyronine

3,5,3'-TRIIODOTHYRONINE; 6893-02-3; CPD001567029; SAM003107539

3,5,3'-TRIIODOTHYRONINE; CPD001567029; SAM003107539

3,5,3'TRIIODOTHYRONINE

4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine

4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine

4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine; L-T3; O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine; T3

4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine

55-06-1; Cytomel (TN); D01011; Liothyronine sodium (JP16/USAN); Triostat (TN)

5714-08-9

57164-27-9

6138-47-2; D08129; Liothyronine hydrochloride; Thyrotradin (TN)

6893-02-3

6893-02-3; Liothyronine; Prestwick_135

7013-53-8

AC1L1LF0

Alanine, 3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-, L-

BAN

BCBcMAP01_000192

BPBio1_000953

BRD-A74642112-001-01-0

BRD-K89152108-001-03-3

BRN 2710227

BSPBio_000865

BSPBio_003394

C02465

C15H12I3NO4

CHEBI:11701; CHEBI:45840; CHEBI:9722; CHEBI:13059; CHEBI:19894; CHEBI:11702

CHEBI:18258

CHEBI:533015

CHEMBL1544

CID5920

cMAP_000088

Cytomel

Cytomel; Triostat

D08128

DAP000082

DB00279

DNC011372

EINECS 229-999-3

Euthroid-0.5

Euthroid-1

Euthroid-2

Euthroid-3

FDA

HMS1570L07

HSDB 3110

InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22

INN)

INN); Liothyronine I 125 (USAN); Liothyronine Sodium (BAN

INN); T3 (Liotrix) (FDA); Liothyronine Sodium (BAN

INN); T3 (Liotrix) (FDA); Liothyronine Sodium (FDA

JAN

JAN); Liothyronine (125I) (USAN); Liothyronine (131I) (USAN)

KBio2_001925

KBio2_002568

KBio2_004493

KBio2_005136

KBio2_007061

KBio2_007704

KBio3_002897

KBio3_003046

KBioGR_000671

KBioGR_002568

KBioSS_001925

KBioSS_002577

L-3,3',5-TriioDOThyronine

L-3,5,3'-Triiodothyronine

L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine

L-Liothyronine

L-T3

L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-

L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo- (9CI)

Liothyronin

Liothyronine (BAN

Liothyronine (INN)

LIOTHYRONINE (L- isomer) SODIUM

Liothyronine I 131

Liothyronine I 131 [USAN]

Liothyronine Sodium

Liothyronine [INN:BAN]

liothyronine; liothyroninum; liotironina

Liothyroninum

Liothyroninum [INN-Latin]

Liotironina

Liotironina [INN-Spanish]

LS-16137

Lyothyronine

MFCD00002593

MLS000028458

MolPort-003-850-717

NCGC00013556

NCGC00096669-01

NCGC00096669-02

nchembio.106-comp8

NCIStruc1_000449

NRP-409

NSC 80203

NSC-46046

O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine

Prestwick0_000853

Prestwick1_000853

Prestwick2_000853

Prestwick3_000853

Prestwick_135

Rathyronine

Rathyronine (DCF

SMP1_000179

SMR000058402

SPBio_002167

SPBio_002786

Spectrum2_001984

Spectrum3_001887

Spectrum4_000326

Spectrum5_001793

Spectrum_001445

SR-01000003143

SR-01000003143-4

Store at -20 °C

T-3

T0453

T2877_SIGMA

T3

T3 (amino acid)

T3 (Hormone)

T3 (Liotrix) (FDA); Liothyronine (BAN

T3 (Triiodothyronine)

T3 (VAN)

T3 liothyronine

Tertroxin

Tertroxin; Tresitope

THYROID HORMONE

Thyrolar-0.25

Thyrolar-0.5

Thyrolar-1

Thyrolar-2

Thyrolar-3

Thyronine, 3,3',5-triiodo-, L-

Thyronine, 3,3',5-triiodo-, L- (6CI)

Tresitope

Tri-Thyrotope

Triiodo-L-thyronine

Triiodothyronine

TRIIODOTHYRONINE (T3 OR LIOTHYRONINE, ACTIVE) (6-11%)

Triiodothyronine (T3)

Triiodothyronine sodium

Triiodothyronine, l-

Triomet-131

Triostat

triothyrone

UNII-06LU7C9H1V

UNII-86AZ0G22V2

USP

USP); Liothyronine (125I) (USAN); Liothyronine (131I) (USAN)

USP); Liothyronine I 131 (USAN)

Download: MOL2 SDF SMILES Flexibase

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) 3.34 6.5 -41.98 4 5 0 97 650.976 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.95e-02 g/l DrugBank-approved
Melting_Point 234-238? Alfa-Aesar
Melting_Point 234-238° Alfa-Aesar
UniProt Database Links 4F2_HUMAN; 4F2_MOUSE; 4F2_RABIT; 4F2_RAT; CRYM_BOVIN; CRYM_HUMAN; CRYM_MACFL; CRYM_MOUSE; CRYM_RAT; FAS_ANSAN; HIUH_ECOLI; HIUH_SALDU; IGSF1_MOUSE; IOD1_CANFA; IOD1_CHICK; IOD1_FELCA; IOD1_FUNHE; IOD1_HUMAN; IOD1_MOUSE; IOD1_ORENI; IOD1_PIG; IOD1_RABIT; I ChEBI
UniProt Database Links IOD1_CANFA; IOD1_CHICK; IOD1_FELCA; IOD1_FUNHE; IOD1_HUMAN; IOD1_MOUSE; IOD1_ORENI; IOD1_PIG; IOD1_RABIT; IOD1_RAT; IOD1_SUNMU; IOD1_XENLA; IOD2_BOVIN; IOD2_CHICK; IOD2_FUNHE; IOD2_HUMAN; IOD2_LITCT; IOD2_MOUSE; IOD2_NEOFS; IOD2_PETMA; IOD2_PIG; IOD2_RAT ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3029; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE TO LIGHT GREY POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3029; SUPPLIER_COMMENTS: WHITE TO LIGHT GREY POWDER NIH Clinical Collection via PubChem
Therapy thyroid hormone SMDC MicroSource
Patent Database Links US2007248644 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
THA-1-E Thyroid Hormone Receptor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.53 Binding ≤ 10μM
THB-1-E Thyroid Hormone Receptor Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.38 Binding ≤ 10μM
Z104301-1-O GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other Other 7000 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
THA_HUMAN P10827 Thyroid Hormone Receptor Alpha, Human 0.1 0.61 Binding ≤ 1μM
THA_RAT P63059 Thyroid Hormone Receptor Alpha, Rat 1.1 0.55 Binding ≤ 1μM
THB_HUMAN P10828 Thyroid Hormone Receptor Beta-1, Human 0.1 0.61 Binding ≤ 1μM
THB_RAT P18113 Thyroid Hormone Receptor Beta-1, Rat 1.1 0.55 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 7000 0.31 Binding ≤ 10μM
THA_RAT P63059 Thyroid Hormone Receptor Alpha, Rat 1.1 0.55 Binding ≤ 10μM
THA_HUMAN P10827 Thyroid Hormone Receptor Alpha, Human 0.1 0.61 Binding ≤ 10μM
THB_RAT P18113 Thyroid Hormone Receptor Beta-1, Rat 1.1 0.55 Binding ≤ 10μM
THB_HUMAN P10828 Thyroid Hormone Receptor Beta-1, Human 0.1 0.61 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway

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

No pre-computed analogs available. Try a structural similarity search.