UCSF

ZINC19594535

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 25 No

Popular Name: Cefadroxil Cefadroxil

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50370-12-2 , 66592-87-8 , 66592-87-8, 50370-12-2 [a , 66592-87-8, 50370-12-2 [anhydrous], 119922-89-9 [hemihydrate] , [50370-12-2]

Other Names:

(6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

(6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monohydrate; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, mon

(6R,7R)-7-[(R)-2-Amino-2-(4-hydroxy-phenyl)-acetylamino]-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/1); Cefadroxil; Cefadroxil 1-wasser

(6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R,7R)-

(6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; CDX; Cefadroxil; Cefadroxil anhydrous; Cephadroxil; D-Cefadroxil

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2R)-amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R,7R)-

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R-(6-alpha,7-beta(R*)))-

50370-12-2

50370-12-2; C06878; Cefadroxil

50370-12-2; Cefadroxil; Prestwick_919

66592-87-8; Cefadroxil (USP); Cefadroxil monohydrate; D02353; Duricef (TN)

7beta-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid

AB00513838

AC1L2J3O

Baxan

BB_NC-1256

Bidocef

BL-S 578

BL-S578

BL-S578; MJF-11567-3

BPBio1_000494

BSPBio_000448

C06878

C7020_FLUKA

C7020_SIGMA

CDX

CDX;Cefadroxil Monohydrate;Cefradroxil

cef-

Cefa-Drops

Cefadril

Cefadrox

Cefadroxil (BAN

Cefadroxil (JP15)

Cefadroxil anhydrous

Cefadroxil Monohydrate

Cefadroxil, Antibiotic for Culture Media Use Only

Cefadroxil/Cefadroxil Hemihydrate (FDA); Cefadroxil (BAN

Cefadroxilo

Cefadroxilo [INN-Spanish]

cefadroxilo; cefadroxilum

Cefadroxilum

Cefadroxilum [INN-Latin]

Cefamox

Cefradroxil

Cefroxil

Cephadroxil

Cephos

CHEBI:3479

CHEMBL1644

CID47965

CPD0-2070

D-Cefadroxil

D00257

DAP000446

DivK1c_000409

Duracef

Duricef

EINECS 256-555-6

HMS1569G10

HMS501E11

IDI1_000409

INN

JAN

KBio1_000409

KBio2_000544

KBio2_003112

KBio2_005680

KBioGR_000732

KBioSS_000544

Kefroxil

MFCD00865091

MJF-11567-3

MLS002207219

MolPort-002-507-346

NCGC00179556-01

NINDS_000409

Oracefal

Prestwick0_000434

Prestwick1_000434

Prestwick2_000434

Prestwick3_000434

S 578

S-578

Sedral

SMR001306770

SPBio_000014

SPBio_002387

Spectrum2_000087

Spectrum4_000266

Spectrum5_000663

Spectrum_000104

STK801939

Sumacef

Sumacef (TN)

Ultracef

UNII-Q525PA8JJB

USAN

USP)

USP); Cefadroxil/Cefadroxil Hemihydrate (FDA)

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) -1.96 1.55 -61.03 4 8 -1 136 362.387 4 ↓

Vendor Notes

Note Type Comments Provided By
biological_use . ZereneX Building Blocks
ALOGPS_SOLUBILITY 3.99e-01 g/l DrugBank-approved
Therapy antibacterial SMDC Pharmakon
biological_use Broad-spectrum antibiotic effective in Gram-positive and Gram-negative bacterial infections. IBScreen Bioactives
UniProt Database Links CDX1_CHICK; CDX1_HUMAN; CDX1_MOUSE; CDX1_PONPY; CDX1_RAT; CDX1_XENLA; CDX1_XENTR; CDX2_HUMAN; CDX2_MESAU; CDX2_MOUSE; CDX4_HUMAN; CDX4_MOUSE; CDX_LINSA; CINC_CITBR ChEBI
mechanism Cell wall synthesis inhibitor IBScreen Bioactives IBScreen Bioactives
PUBCHEM_PATENT_ID EP0001133A1; EP0019345A1; EP0025495A1; EP0027258A1; EP0034347A2; EP0056992A1; EP0069962A1; EP0092948A1; EP0092948A2; EP0114787A2; EP0114787B1; EP0138523A1; EP0150984A2; EP0150984B1; EP0154444A1; EP0162747A1; EP0162764A1; EP0169995A2; EP0169995B1; EP017862 IBM Patent Data
biological_use It is a bactericidal antibiotic IBScreen Bioactives
mechanism Mucopeptide-synthesis inhibitor IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S15A2-1-E Solute Carrier Family 15 Member 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.31 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S15A2_HUMAN Q16348 Solute Carrier Family 15 Member 2, Human 3000 0.31 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Proton/oligonucleotide cotransporters

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