Details of the Drug

General Information of Drug (ID: DMB74CM)

Drug Name
DIAVERIDINE
Synonyms Diaveridine < Rec INN; EGIS-5645; 2,4-Diamino-5-(3',4'-dimethoxybenzyl)pyrimidine; 5-[(3,4-Dimethoxyphenyl)methyl]-2,4-pyrimidinediamine
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 260.29
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C13H16N4O2
IUPAC Name
5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Canonical SMILES
COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
InChIKey
LDBTVAXGKYIFHO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
21453
ChEBI ID
CHEMBL19633
CAS Number
5355-16-8
TTD ID
D0FC5T
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Dihydrofolate reductase (Bact DHFR) TTV8DM2 DYR_ECOLI Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002763)
2 Acute and sub-chronic toxicity study of diaveridine in Wistar rats.Regul Toxicol Pharmacol.2015 Oct;73(1):232-40.