UCSF

ZINC85534336

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2013 51 No

Popular Name: Erythromycin Erythromycin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114-07-8 , 149908-23-6 , 643-22-1 , 84252-03-9

Other Names:

(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl]oxy}-3-hydroxy-N,N,6-trimethyltetr

(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-(4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione; (3R,4S,5

mycin

114-07-8; Abomacetin; C01912; Erythromycin; Erythromycin A

114-07-8; Erythromycin; Prestwick_205

149908-23-6; D04054; Erythromycin salnacedin (USAN)

4-O-beta-D-Galactopyranosyl-D-gluconic acid compd. with erythromycin; C37H67NO13.C12H22O12; D-Gluconic acid, 4-O-beta-D-galactopyranosyl-, compd. with erythromycin (1:1); EINECS 223-348-7; ERYTHROCIN; ERYTHROMYCIN; ERYTHROMYCIN LACTOBIONATE; Erythromycin

643-22-1; Bristamycin (TN); D02184; ES; Erythromycin stearate (JP16/USP)

84252-03-9; D07910; Erysec (TN); Erythromycin stinoprate (INN)

99

Abboticin

Abomacetin

Ak-mycin

Akne-Mycin

Aknin

BAN

Benzamycin

Benzamycin Pak

Bristamycin

CHEBI:112506; CHEBI:42352; CHEBI:4841; CHEBI:4843; CHEBI:23950; CHEBI:28672

Dotycin

Dumotrycin

E-Base

E-Glades

E-Mycin

E-Solve 2

EM

EM;Erythrocin Stearate;Erythromycin ethylsuccinate;Erythromycin glucoheptonate;Erythromycin lactobionate;Erythromycin oxime;Erythromycin Stearate

Emgel

EMU

Eritrocina

eritromicina; erythromycin; erythromycine; erythromycinum

Ermycin

Ery-Sol

Ery-Tab

Eryacne

Eryc

Eryc 125

Eryc Sprinkles

Erycen

Erycette

Erycin

Erycinum

Eryderm

Erygel

Erymax

Erypar

Erythra-Derm

Erythro

Erythro-Statin

Erythrocin

Erythrocin Stearate

Erythrogran

Erythroguent

Erythromast 36

Erythromid

Erythromycin (BAN

Erythromycin A

erythromycin A(1+)

erythromycin A; erythromycin A cation

Erythromycin B

Erythromycin estolate

Erythromycin Estolate (BAN

Erythromycin ethylsuccinate

Erythromycin ethylsuccinate;Erythromycin glucoheptonate;Erythromycin lactobionate;Erythromycin oxime;Erythromycin Stearate;Erythrocin Stearate;EM

Erythromycin glucoheptonate

Erythromycin L-aspartate; Erythromycin aspartate; L-Aspartic acid, compd. with erythromycin (1:1); LS-22109

Erythromycin lactobionate

Erythromycin oxime

Erythromycin Stearate

Erythromycin sulfamate; Erythromycin, sulfamate (salt); LS-64691

Ethril 250

ETS

FDA

Ilocaps

Ilosone

Ilotycin

Ilotycin Gluceptate

IndermRetcin

INN

JAN

JAN)

JAN); Erythromycin Gluceptate (FDA

Kesso-Mycin

LS-187077

Mephamycin

Pantomicina

Pce

Pfizer-e

Propiocine

R-P Mycin

Robimycin

Sansac

Serp-AFD

Stiemycin

Taimoxin-F

Theramycin Z

Torlamicina

USAN

USP

USP)

USP); Erythromycin (FDA

USP); Erythromycin Gluceptate (FDA

USP); Erythromycin Lactobionate (BAN

USP); Erythromycin Lactobionate (FDA

USP); Erythromycin Stearate (BAN

USP); Erythromycin Stearate (FDA

Wemid

Wyamycin S

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) 2.28 4.93 -45.45 6 14 1 195 734.945 7 ↓
Hi High (pH 8-9.5) 2.28 2.55 -18.81 5 14 0 194 733.937 7 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.759 Bitter DB
ALOGPS_SOLUBILITY 4.59e-01 g/l DrugBank-approved
UniProt Database Links ACRZ_ECOLI; AOX2_ARATH; CP3A9_RAT; CP3AB_MOUSE; CPXJ_SACEN; ERBS_SACEN; EREA_ECOLX; EREB_ECOLX; ERMA_AERER; ERMA_CORDP; ERMA_STAAM; ERMA_STAAN; ERMA_STAAR; ERMA_STAAU; ERMB_ECOLX; ERMC1_STAAU; ERMC2_STAAU; ERMC3_STAAU; ERMD_BACLI; ERME_SACEN; ERMF_BACFG ChEBI
UniProt Database Links CPXJ_SACEN; ERYG_SACEN; ERYK_SACEN ChEBI
Patent Database Links EP1304326; EP1340743; EP1479667; EP1506961; EP1612207; EP1714977; EP1867626; US2002052341; US2005008630; US2005014790; US2006058246; US2006223861; US2006277687; WO2005049614; WO2006064052; WO2007112581 ChEBI

Activity (Go SEA)

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

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