General Information of the Compound
Compound ID
CP0035945
Compound Name
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
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Synonyms
AZT + TMP/SMX (mixture) combination
Abaprim
Alcorim-F
Alprim
Anitrim
Antrima
Antrimox
Apo-Sulfatrim
BW 56-72
BW 5672
BW-56-72
Bacdan
Bacidal
Bacide
Bacin
Bacta
Bacterial
Bacterial [Antibiotic]
Bacticel
Bactin
Bactoprim
Bactramin
Bencole
Bethaprim
Biosulten
Briscotrim
Chemotrin
Cidal
Co-Trimoxizole
Colizole
Colizole DS
Component of Bactrim
Component of Septra
Conprim
Cotrimel
Deprim
Duocide
Esbesul
Espectrin
Euctrim
Exbesul
Fermagex
Fortrim
Futin
Idotrim
Ikaprim
Instalac
KSC-4-158
KUC103659N
Kombinax
Lagatrim
Lagatrim Forte
Lastrim
Methoprim
Metoprim
Monoprim
Monotrim
Monotrim (TN)
Monotrimin
NIH 204
NIH 204 (VAN)
Novotrimel
Omstat
Oraprim
Pancidim
Polytrim
Priloprim
Primosept
Primsol
Proloprim
Proloprim (TN)
Protrin
Purbal
Resprim
ResprimForte
Roubac
Roubal
Salvatrim
Septrin DS
Septrin Forte
Septrin S
Setprin
Sinotrim
Smz-Tmp
Stopan
Streptoplus
Sugaprim
Sulfamar
Sulfamethoprim
Sulfamethoxazole & Trimethoprim
Sulfoxaprim
Sulmeprim
Sulthrim
Sultrex
Syraprim
T 7883
TCMDC-125538
Tiempe
Tmp-Ratiopharm
Toprim
Trimanyl
Trimeth/Sulfa
Trimethioprim
Trimethopim(TMP)
Trimethoprim
Trimethoprim & VRC3375
Trimethoprim (JAN/USP/INN)
Trimethoprim [USAN:BAN:INN:JAN]
Trimethoprime
Trimethoprime [INN-French]
Trimethoprimum
Trimethoprimum [INN-Latin]
Trimethopriom
Trimetoprim
Trimetoprim [DCIT]
Trimetoprim [Polish]
Trimetoprima
Trimetoprima [INN-Spanish]
Trimexazole
Trimexol
Trimez-IFSA
Trimezol
Trimogal
Trimono
Trimopan
Trimpex
Trimpex (TN)
Trimpex 200
Triprim
Triprim (TN)
Trisul
Trisulcom
Trisulfam
Trisural
U-Prin
Uretrim
Uro-D S
Urobactrim
Utetrin
Velaten
WR 5949
Wellcoprim
Wellcoprin
Xeroprim
Zamboprim
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Structure
Formula
C14H18N4O3
Molecular Weight
290.323
Canonical SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
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InChI
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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InChIKey
IEDVJHCEMCRBQM-UHFFFAOYSA-N
CAS
738-70-5
Physicochemical Property
logP
1.2576
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
105.51
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
21

"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: 5578
SID: 14824824
ChEMBL ID
CHEMBL22
DrugBank ID
DB00440
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: PT00057, Dihydrofolate reductase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000338 DV3-M15 Mus musculus (Mouse)  1
1
IC50 = 71000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 71400 nM
2 IC50 = 77000 nM
3 Ki = 24100 nM
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1584.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 50680 nM
   TI
   LI
   LO
   TS
2
IC50 = 56800 nM
   TI
   LI
   LO
   TS
Protein ID: PT06391, Trace amine-associated receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Trimethoprim )
Drug Name Trimethoprim
Company GlaxoSmithKline
Indication
Urinary tract infection
Approved
Target(s)
Dihydrofolate reductase (DHFR)
Modulator