General Information of the Compound
Compound ID
CP0178740
Compound Name
BL-S578
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Synonyms
(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-[[(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
7beta-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid
BL-S 578
BL-S578
CDX
Cefadroxil
Cefadroxil (JP15)
Cefadroxil anhydrous
Cefadroxilo
Cefadroxilo [INN-Spanish]
Cefadroxilum
Cefadroxilum [INN-Latin]
Cephadroxil
Curisafe (TN)
D-Cefadroxil
MJF-11567-3
S 578
S-578
Sumacef
Sumacef (TN)
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Structure
Formula
C16H17N3O5S
Molecular Weight
363.395
Canonical SMILES
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C2=O)C(O)=O
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InChI
InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1
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InChIKey
BOEGTKLJZSQCCD-UEKVPHQBSA-N
CAS
50370-12-2
Physicochemical Property
logP
0.1505
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
132.96
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 47965
SID: 16050996
ChEMBL ID
CHEMBL1644
DrugBank ID
DB01140
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02209, Organic anion transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 8620 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 8620 nM
Protein ID: PT06345, Solute carrier family 15 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 3000 nM
   TI
   LI
   LO
   TS
CL000770 SKPT-0193 Cl.2 Rattus norvegicus (Rat)  1
1
Ki = 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04064, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 6140 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cefadroxil )
Drug Name Cefadroxil
Company Pharco B international
Indication
Bacterial infection
Approved