General Information of the Compound
Compound ID
CP0034995
Compound Name
6‐phenylpteridine‐2,4,7‐triamine (5)
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Synonyms
2,4,7-Triamino-6-fenilpteridina
2,4,7-Triamino-6-fenilpteridina [Italian]
2,4,7-Triamino-6-phenylpteridine
6-PHENYL-2,4,7-TRIAMINO PTERIDINE
6-Phenyl-2,4,7-pteridinetriamine
6-Phenyl-2,4,7-triaminopteridine
6-phenylpteridine-2,4,7-triamine
Ademin
Ademin(e)
Ademine
Amteren
Anjal
Apo-triazide
Dazid
Diarol
Dinazide
Diren
Ditak
Diucelpin
Diurene
Diutensat
Diuteren
Dyberzide
Dyren
Dyrenium
Dyrenium (TN)
Dytac
Dytenzide
Esiteren
Fluss 40
Goldshield Brand of Triamterene
Hidiurese
Hydrene
Hypertorr
Isobar
Jatropur
Jenateren
Jorba Brand of Triamterene
Kalspare
Masuharmin
Nephral
Noridil
Noridyl
Pter ophene
Pteridine deriv. 11
Pterofen
Pterophene
Renezide
Reviten
SALI-PUREN
SK&F 8542
SK&F-8542
SK-8542
SKF 8542
SmithKline Beecham Brand of Triamterene
T 4143
TRIAMTERENE USP
Taturil
Teriam
Teridin
Thiazid Wolff
Tri-Span
Triamizide
Triampur
Triamteren
Triamterena
Triamterena [INN-Spanish]
Triamterene
Triamterene (JP15/USP/INN)
Triamterene [USAN:INN:BAN:JAN]
Triamterenum
Triamterenum [INN-Latin]
Triamteril
Triamteril complex
Triamterine
Triamthiazid
Tricilone
Trispan
Triteren
Triurene
Trizid
Turfa
Uretren
Urocaudal
Wellspring Brand of Triamterene
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Structure
Formula
C12H11N7
Molecular Weight
253.269
Canonical SMILES
Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1
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InChI
InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
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InChIKey
FNYLWPVRPXGIIP-UHFFFAOYSA-N
CAS
396-01-0
Physicochemical Property
logP
0.8334
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
129.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
19

"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: 5546
SID: 14774401
ChEMBL ID
CHEMBL585
DrugBank ID
DB00384
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: PT00817, Cytochrome P450 2D6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 11885.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 2310.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 16481.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 4613 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Triamterene )
Drug Name Triamterene
Indication
Congestive heart failure
Approved
Edema
Approved
Hypertension
Approved