General Information of the Compound
Compound ID
CP0002226
Compound Name
6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamine
    Show/Hide
Synonyms
3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine
3,5-Diamino-6-(2,3-dichlorophenyl)-as-triazine
3,5-diamino-6-(2,3-dichlorophenyl)-as-triazine
6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diyldiamine
6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
BW 430C
BW-430C
Crisomet
Desitin Brand of Lamotrigine
EUR-1048
Faes Brand of Lamotrigine
GI 267119X
GW 273293
Glaxo Wellcome Brand of Lamotrigine
GlaxoSmithKline Brand of Lamotrigine
Juste Brand of Lamotrigine
L 3791
Labileno
Lamictal
Lamictal (TN)
Lamictal Cd
Lamictal ODT
Lamictal XR
Lamictin
Lamictin (TN)
Lamiktal
Lamitor
Lamotrigina
Lamotrigina [Spanish]
Lamotrigine
Lamotrigine (JAN/USAN/INN)
Lamotrigine [USAN:INN:BAN]
Lamotriginum
Lamotriginum [Latin]
    Show/Hide
Structure
Formula
C9H7Cl2N5
Molecular Weight
256.096
Canonical SMILES
Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
    Show/Hide
InChI
InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
    Show/Hide
InChIKey
PYZRQGJRPPTADH-UHFFFAOYSA-N
CAS
84057-84-1
Physicochemical Property
logP
2.0098
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
90.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
16

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3878
SID: 12013463
ChEMBL ID
CHEMBL741
DrugBank ID
DB00555
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 96000 nM
   TI
   LI
   LO
   TS
2
IC50 = 98000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03022, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
2
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 17000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03042, Sodium channel protein type 3 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 17000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03043, Sodium channel protein type 4 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 17000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 39810.72 nM
   TI
   LI
   LO
   TS
2
IC50 = 62000 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 17000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Lamotrigine )
Drug Name Lamotrigine
Company GSK
Indication
Bipolar disorder
Approved
Epilepsy
Approved
Target(s)
Voltage-gated sodium channel alpha Nav1.9 (SCN11A)
Blocker