Details of the Drug

General Information of Drug (ID: DMWOHAE)

Drug Name
PMID24099220C5i
Synonyms
GNF-PF-3777; tryptanthrin 5i; 8-Nitrotryptanthrin; AC1L9YX7; Oprea1_383200; Oprea1_416302; GTPL8223; GTPL10126; CTK5I3547; ZINC334588; BCP26220; BDBM50442991; AKOS032945018; CS-6001; HY-100687; 77603-42-0
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) 293.23
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H7N3O4
IUPAC Name
8-nitroindolo[2,1-b]quinazoline-6,12-dione
Canonical SMILES
C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=N2
InChI
InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
InChIKey
UFMQJYHLIUACCG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
478573
ChEBI ID
CHEMBL432537
TTD ID
D0Z3NE
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Indoleamine 2,3-dioxygenase 1 (IDO1) TTZJYKH I23O1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Discovery of tryptanthrin derivatives as potent inhibitors of indoleamine 2,3-dioxygenase with therapeutic activity in Lewis lung cancer (LLC) tumor-bearing mice. J Med Chem. 2013 Nov 14;56(21):8321-31.