Details of the Drug

General Information of Drug (ID: DMWS3D6)

Drug Name
5-Chloryl-2,4,6-Quinazolinetriamine
Synonyms
2,4,6-Triamino-5-chloroquinazoline; 17511-20-5; CHEMBL6708; CLZ; AC1L47X8; SCHEMBL1611666; CTK4D5160; DTXSID70169931; MolPort-003-808-568; JZWXVYNQIJJTKF-UHFFFAOYSA-N; BDBM50404662; 5-chloroquinazoline-2,4,6-triamine; ZINC13282329; AKOS022649928; 2,4,6-Quinazolinetriamine,5-chloro-; 2,4,6-Quinazolinetriamine, 5-chloro-
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) 241.63
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C8H8ClN5O2
IUPAC Name
5-chlorylquinazoline-2,4,6-triamine
Canonical SMILES
C1=CC2=C(C(=C1N)Cl(=O)=O)C(=NC(=N2)N)N
InChI
InChI=1S/C8H8ClN5O2/c10-3-1-2-4-5(6(3)9(15)16)7(11)14-8(12)13-4/h1-2H,10H2,(H4,11,12,13,14)
InChIKey
AOIWFGJNGXKHGL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4627204
DrugBank ID
DB01929
TTD ID
D0KY9B

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Polypeptide deformylase (PDF) TT9SL3Q DEFM_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Polypeptide deformylase (PDF) DTT PDF 8.87E-16 -0.54 -0.86
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.