General Information of the Compound
Compound ID
CP0076561
Compound Name
3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide
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Synonyms
Amfamox
(1-Amino-3-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)propylidene)sulfamide
(1Z)-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide
(1Z)-N'-(aminosulfonyl)-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)thio]propanimidamide
3-(2-Guanidinothiazol-4-ylmethylthio)-N1-sulfamoylpropionamide
3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N-sulfamoylpropanimidamide
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpro
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
76824-35-6
Antodine
Apo-Famotidine
Apogastine
Bestidine
Blocacid
Brolin
Cepal
Confobos
Cronol
Cuantin
Dibrit 40
Digervin
Dinul
Dipsin
Dispromil
Dispronil
Duovel
Durater
Evatin
F 6889
F0530
FAMOTIDINE PRESERVATIVE FREE
FAMOTIDINE PRESERVATIVE FREE IN PLASTIC CONTAINER
Fadin
Fadine
Fadyn
Fagastine
Famo
Famocid
Famodar
Famodil
Famodin
Famodine
Famogard
Famonit
Famopsin
Famos
Famosan
Famotal
Famotep
Famotidina
Famotidina [Spanish]
Famotidine
Famotidine [USAN:BAN:INN:JAN]
Famotidinum
Famotidinum [Latin]
Famotin
Famovane
Famowal
Famox
Famoxal
Famtac
Famulcer
Fanobel
Fanosin
Fanox
Farmotex
Ferotine
Fibonel
Fluxid
Fudone
Ganor
Gaster
Gastridan
Gastridin
Gastrion
Gastro
Gastrodomina
Gastrofam
Gastropen
Gastrosidin
HS-0054
Hacip
Huberdina
Ingastri
Invigan
L 643341
Lecedil
Logos
MK 208
MK-208
Mensoma
Midefam
Mosul
Motiax
Muclox
Mylanta AR
N'-(Aminosulfonyl)-3-([2-(diaminomethyleneamino)-4-thiazolyl]methylthio)propanamidine
Neocidine
Nevofam
Notidin
Novo-Famotidine
Nu-Famotidine
Nulceran
Nulcerin
PEPCID
PEPCID COMPLETE
PEPCID PRESERVATIVE FREE
PEPCID PRESERVATIVE FREE IN PLASTIC CONTAINER
Panalba
Pepcid
Pepcid (TN)
Pepcid AC
Pepcid AC Gelcaps
Pepcid RPD
PepcidRPD
Pepcidac
Pepcidin
Pepcidin Rapitab
Pepcidina
Pepcidine
Pepcidine (TN)
Pepdif
Pepdine
Pepdul
Pepfamin
Peptan
Peptidin
Peptifam
Pepzan
Propanimidamide, 3-[[[2-[aminoiminomethyl)amino]-4-thiazoyl]methyl]thio]-N-(aminosulfonyl)
Purifam
Quamatel
Quamtel
Renapepsa
Restadin
Rogasti
Rubacina
Sedanium-R
Sigafam
Supertidine
Tairal
Tamin
Tipodex
Topcid
Ulcatif
Ulceprax
Ulcofam
Ulfagel
Ulfam
Ulfamid
Ulfinol
Ulgarine
Vagostal
Weimok
Whitidin
YM 11170
YM-11170
YM-1170
Yamarin
famotidine
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Structure
Formula
C8H15N7O2S3
Molecular Weight
337.456
Canonical SMILES
NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
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InChI
InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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InChIKey
XUFQPHANEAPEMJ-UHFFFAOYSA-N
CAS
76824-35-6
Physicochemical Property
logP
-0.768
Rotatable Bonds
7
Heavy Atom Count
20
Polar Areas
175.83
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
20

"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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Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5353622
SID: 14900130
ChEMBL ID
CHEMBL902
DrugBank ID
DB00927
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 580.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 760 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 36200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06796, POU domain, class 2, transcription factor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Km = 35700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT04591, Solute carrier family 22 member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 36100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06607, Solute carrier family 22 member 3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Famotidine )
Drug Name Famotidine
Company Astellas Pharma
Indication
Peptic ulcer
Approved
Target(s)
Histamine H2 receptor (H2R)
 Target Info 
Antagonist
Drug 2 ( Famotidine )
Drug Name Famotidine
Indication
Coronavirus Disease 2019 (COVID-19)
Phase 3