Details of the Drug

General Information of Drug (ID: DMHY95J)

Drug Name
PMID15925511C13
Synonyms GTPL8188; BDBM50168247
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 388.5
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H12N2O2S2
IUPAC Name
2,3-dithiophen-2-ylbenzo[g]quinoxaline-7-carboxylic acid
Canonical SMILES
C1=CSC(=C1)C2=NC3=C(C=C4C=C(C=CC4=C3)C(=O)O)N=C2C5=CC=CS5
InChI
InChI=1S/C21H12N2O2S2/c24-21(25)13-6-5-12-10-15-16(11-14(12)9-13)23-20(18-4-2-8-27-18)19(22-15)17-3-1-7-26-17/h1-11H,(H,24,25)
InChIKey
GXGUVSXXUOACEX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11668217
TTD ID
D0J1JB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
SRSF protein kinase 1 (SRPK1) TTU3WV6 SRPK1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis of selective SRPK-1 inhibitors: novel tricyclic quinoxaline derivatives. Bioorg Med Chem Lett. 2005 Jul 1;15(13):3241-6.