General Information of the Compound
Compound ID
CP0082827
Compound Name
AT-4140
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Synonyms
(cis)-5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
5-Amino-1-cyclohexyl-7-(cis-3,5-dimethylpiperazino)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid & RU 40555
5-Amino-1-cyclopropyl-7-(cis-3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
AT 4140
AT-4140
CP 103826
CP-103826
Cis-5-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
DRG-0143
Esparfloxacino
Esparfloxacino [INN-Spanish]
Liposome-encapsulated sparfloxacin
PD 1315-1
PD 131501
PD-131501
PD131501
RP-64206
Respipac (TN)
SPFX
Spara
Sparfloxacin
Sparfloxacin & RU 40555
Sparfloxacin (JAN/USAN/INN)
Sparfloxacin [USAN:BAN:INN:JAN]
Sparfloxacin, cis-isomer
Sparfloxacine
Sparfloxacine [INN-French]
Sparfloxacinum
Sparfloxacinum [INN-Latin]
Zagam
Zagam (TN)
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Structure
Formula
C19H22F2N4O3
Molecular Weight
392.406
Canonical SMILES
C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
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InChI
InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
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InChIKey
DZZWHBIBMUVIIW-DTORHVGOSA-N
CAS
110871-86-8
Physicochemical Property
logP
2.0816
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
100.59
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 60464
SID: 12014309
ChEMBL ID
CHEMBL850
DrugBank ID
DB01208
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 18197.01 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 26302.68 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 34400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18197.01 nM
Clinical Information about the Compound
Drug 1 ( Sparfloxacin )
Drug Name Sparfloxacin
Company Square pharma
Indication
Bacterial infection
Approved