Details of the Drug

General Information of Drug (ID: DMPH1AG)

Drug Name
TG100801
Synonyms
867331-82-6; TG 100801; TG100801; UNII-1VZO7A0J9S; TG-100801; 1VZO7A0J9S; 4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)benzo[e][1,2,4]triazin-7-yl)phenyl benzoate; 4-Chloro-3-(5-methyl-3-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-amino)benzo[e][1,2,4]triazin-7-yl)phenyl benzoate; C33H30ClN5O3; CHEMBL403989; SCHEMBL12198196; KS-00001CQP; BDBM97971; DTXSID20235791; MolPort-027-835-464; BCP02570; 3641AC; ABP000364; ZINC29136020; AKOS016008711; CS-0785; DB05075; NCGC00378840-01; KB-81090; HY-10186; TG100-801; W-5618
Indication
Disease Entry ICD 11 Status REF
Macular degeneration 9B78.3 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 580.1
Logarithm of the Partition Coefficient (xlogp) 7
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C33H30ClN5O3
IUPAC Name
[4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate
Canonical SMILES
CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl
InChI
InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)
InChIKey
JMGXJHWTVBGOKG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11973736
ChEBI ID
CHEMBL403989
CAS Number
867331-82-6
UNII
1VZO7A0J9S
DrugBank ID
DB05075
TTD ID
D0GP9Q
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vascular endothelial growth factor (VEGF) TT9HKJA VEGFA_HUMAN ; VEGFB_HUMAN ; VEGFC_HUMAN ; VEGFD_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00509548) Open-Label, Pilot Study of TG100801 in Patients With Choroidal Neovascularization Due to AMD. U.S. National Institutes of Health.
2 Topical administration of a multi-targeted kinase inhibitor suppresses choroidal neovascularization and retinal edema. J Cell Physiol. 2008 Jul;216(1):29-37.