Details of the Drug

General Information of Drug (ID: DMG6PZT)

Drug Name
6-Phenylaminomethyl-quinazoline-2,4-diamine
Synonyms
CHEMBL80746; 6-(anilinomethyl)quinazoline-2,4-diamine; 27133-39-7; AC1LAG5J; 6-Phenylaminomethyl-quinazoline-2,4-diamine; SCHEMBL4788363; CTK0I5781; DTXSID30333156; ZINC3814839; BDBM50101637; [(2,4-Diaminoquinazolin-6-yl)methyl]phenylamine; 2,4-Quinazolinediamine, 6-[(phenylamino)methyl]-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 265.31
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H15N5
IUPAC Name
6-(anilinomethyl)quinazoline-2,4-diamine
Canonical SMILES
C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C15H15N5/c16-14-12-8-10(6-7-13(12)19-15(17)20-14)9-18-11-4-2-1-3-5-11/h1-8,18H,9H2,(H4,16,17,19,20)
InChIKey
SQHNSLWKFCXHKZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
487412
CAS Number
27133-39-7
TTD ID
D08CMW

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 Design and synthesis of dihydrofolate reductase inhibitors encompassing a bridging ester group. Evaluation in a mouse colitis model. J Med Chem. 2003 Jul 31;46(16):3455-62.