General Information of the Compound
Compound ID
CP0271018
Compound Name
Anspor
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Synonyms
(6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)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-cyclohexa-1,4-dien-1-ylacetyl]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-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-caboxylic acid
7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid
7beta-[(2R)-2-(cyclohexa-1,4-dienyl)-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid
Anspor
Anspor (TN)
CEPHRADINE SODIUM
Cefradin
Cefradina
Cefradina [INN-Spanish]
Cefradine
Cefradine (JAN/INN)
Cefradinum
Cefradinum [INN-Latin]
Cephradin
Cephradine
Cephradine (USP)
Cephradine (anhydrous)
Cephradine [USAN:BAN]
Eskacef
SK&F D-39304
SK-D-39304
SKF D 39304
SQ 11436
SQ-11436
SQ-22022
Sefril
VELOSEF 125
VELOSEF 250
VELOSEF 500
Velosef
Velosef (TN)
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Structure
Formula
C16H19N3O4S
Molecular Weight
349.412
Canonical SMILES
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O
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InChI
InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
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InChIKey
RDLPVSKMFDYCOR-UEKVPHQBSA-N
CAS
38821-53-3
Physicochemical Property
logP
0.3486
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
112.73
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 40467109
SID: 15076177
ChEMBL ID
CHEMBL1604
DrugBank ID
DB01333
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: PT02822, Solute carrier family 15 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2 Homo sapiens (Human)  1
1
Ki = 9800 nM
   TI
   LI
   LO
   TS
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 = 47000 nM
   TI
   LI
   LO
   TS
CL000770 SKPT-0193 Cl.2 Rattus norvegicus (Rat)  1
1
Ki = 65000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cefradine )
Drug Name Cefradine
Company Kent Pharms
Indication
Bacterial infection
Approved