UCSF

ZINC19364219

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 Yes

Popular Name: Ethambutol Ethambutol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1070-11-7 , 1070-11-7, 74-55-5 [etham , 1070-11-7, 74-55-5 [ethambutol] , 74-55-5 , [74-55-5]

Other Names:

(+)-(S,S)-2,2'-(1,2-Ethylenediimino)-di-1-butanol

(+)-(S,S)-ethambutol dihydrochloride; (+)-2,2'-(ethylenediimino)-di-1-butanol dihydrochloride; (+)-2,2'-(ethylenediimino)di-1-butanol dihydrochloride; (+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine dihydrochloride; (+)-ethambutol dihydrochloride; (2

(+)-2,2'-(Ethylenediimino)-di-1-butanol dihydrochloride; (S-(R*,R*))-2,2'-(Ethylenediimino)dibutan-1-ol dihydrochloride; 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, dihydrochloride, (R-(R*,R*))-; 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, dihydrochlori

(+)-2,2'-(Ethylenediimino)di-1-butanol

(+)-2,2'-(ethylenediimino)di-1-butanol; (+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamine; (+)-S,S-ethambutol; (+)-ethambutol; (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol; (S,S)-ethambutol; EMB; Ethambutol

(+)-ethambutol

(+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine

(+)-S,S-Ethambutol

(-)-(R,R)-2,2'-(1,2-Ethylenediimino)-di-1-butanol

(2'S)-2,2'-[Ethane-1,2-diyldi(imino)]dibutan-1-ol

(2R)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol

(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol

(2R,2'R)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol

(2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol

(2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride

(2S)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol

(2S)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol

(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol

(2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol)

(2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol) dihydrochloride

(2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol

(2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol

(R)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol

(S,R)-2,2'-(1,2-Ethylenediimino)-di-1-butanol

(S,S)-ethambutol

(S,S)-Ethambutol-d4 bishydrochloride

1-butanol, 2,2'-(1,2-ethanediyldiimino)bis-

1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-

1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R)-

1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R-(R*,R*))-

1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (S-(R*,R*))-

1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, [S-(R*,R*)]-

1-Butanol, 2,2'-(ethylenediimino)di-, (+)-

1070-11-7

1070-11-7; D00878; Ethambutol hydrochloride (JP16/USP); Myambutol (TN)

2,2'-(1,2-Ethanediyldiimino)di(1-butanol)

2,2'-(1,2-Ethylenediimino)-di-1-butanol

2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol) dihydrochloride

2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol

2,2'-[1,2-ethanediyldi(imino)]di(1-butanol)dihydrochloride

2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol

74-55-5

74-55-5; C06984; Ethambutol

74-55-5; D07925; Ethambutol (INN); Servambutol (TN)

75343-56-5

AC1L1FKQ

AC1L230T

AC1L9YT2

AC1LABPH

AC1LAKIP

AC1LAKIS

AC1Q2C85

AC1Q2SHV

AC1Q77PZ

Aethambutolum

Aethambutolum;D-Ethambutol;EMB;Etambutol [INN-Spanish];Etambutolo [DCIT];Ethambutol, racemic mixture;Ethambutolum [INN-Latin]

AR-1A7805

AR-1C2065

BPBio1_000105

BSPBio_000095

BSPBio_002012

C06984

C10H24N2O2

CAS-1070-11-7

CHEBI:133410; CHEBI:678172; CHEBI:659237

CHEBI:4877

CHEMBL43824

CHEMBL44884

CID14052

CID3279

CID465436

CID470071

CID470072

CID504259

CL 40881 (dihydrochloride)

CL-40881

CPD000046147

CPD000046147; Ethambutol; SAM002589988

CPD000046147; Ethambutol; SAM002589988; Tibutol

d,N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine

D-2,2'-(Ethylenediimino)bis(1-butanol)

D-2,2'-(Ethylenediimino)di-1-butanol

D-Ethambutol

D-N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine

D07925

Dadibutol

DAP000055

DB00330

Diambutol

DivK1c_000561

Ebutol

EINECS 200-810-6

EMB

Etambutol

Etambutol [INN-Spanish]

etambutol; ethambutol; ethambutolum

Etambutolo

Etambutolo [DCIT]

Ethambutol & EEP

Ethambutol & Propolis

Ethambutol (BAN

Ethambutol (INN)

Ethambutol dihydrochloride

Ethambutol HCL

Ethambutol Hydrochloride

Ethambutol [INN:BAN]

Ethambutol, (-)-isomer

Ethambutol, meso form

Ethambutol, racemic mixture

Ethambutolum

Ethambutolum [INN-Latin]

Etibi

HSDB 3078

IDI1_000561

INN); Ethambutol HCl (FDA

JAN

KBio1_000561

KBio2_001538

KBio2_004106

KBio2_006674

KBio3_001232

KBioGR_001209

KBioSS_001538

KST-1A8084

LS-187119

LS-190321

LS-46537

MFCD00082443

MFCD00216025

MFCD00296909

MFCD00866809

MFCD18711338

MFCD21364080

Miambutol

MLS000082702

MolPort-002-507-956

MolPort-003-847-110

Myambutol

Myambutol (dihydrochloride)

N/A

NCGC00016560-01

NCGC00178864-01

NCGC00179661-01

NINDS_000561

NSC653313

Prestwick0_000028

Prestwick1_000028

Prestwick2_000028

Prestwick3_000028

Purderal

SAM002589988

Servambutol

Servambutol (TN)

SMR000046147

SPBio_001167

SPBio_002016

Spectrum2_001014

Spectrum3_000426

Spectrum4_000545

Spectrum5_000702

Spectrum_001058

STK711105

STOCK5S-98432

Tibutol

UNII-8G167061QZ

USAN

USP)

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) 0.35 -1.34 -108.47 6 4 2 74 206.33 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.58e+00 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links AFTA_MYCS2; AFTA_MYCTU; DORS_DROME; EMB1_DAUCA; EMBA_MYCAV; EMBA_MYCBO; EMBA_MYCLE; EMBA_MYCSM; EMBA_MYCTU; EMBB_MYCAV; EMBB_MYCBO; EMBB_MYCLE; EMBB_MYCSM; EMBB_MYCTU; EMBC_MYCBO; EMBC_MYCLE; EMBC_MYCSM; EMBC_MYCTU; INIA_MYCTU; INIB_MYCTU; INIC_MYCTU; MOT ChEBI
Therapy antibacterial (tuberculostatic) SMDC Iconix
Target Antifection Selleck Chemicals
PUBCHEM_PATENT_ID EP0493513B1; US4150030; US4220657; US4292327; US4293568; US4468398; US5213808; US5811089; US5994151; WO1994022423A1; WO1995028823A2; WO1997034149A1; WO1998000159A1; WO2000025756A2 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : E-1111; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: E-1111; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
Indications tuberculosis KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50380-4-O Mycobacterium Smegmatis (cluster #4 Of 4), Other Other 3660 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50380 Z50380 Mycobacterium Smegmatis 3200 0.55 Functional ≤ 10μM

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