Synonyms
Status
Molecule Category Free-form
ATC A10BA01
UNII DD5K7529CE
EPA CompTox DTXSID1023449

Structure

InChI Key ICFJFFQQTFMIBG-UHFFFAOYSA-N
Smiles N=C(N)NC(=N)NCCc1ccccc1
InChI
InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N5
Molecular Weight 205.26
AlogP 0.24
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 97.78
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - -2.3-34.5
Mus musculus
- - - - 21-21
Plasmodium falciparum
- 0 - - -
Rattus norvegicus
- - - - 0-81

Cross References

Resources Reference
ChEBI 8064
ChEMBL CHEMBL170988
DrugBank DB00914
DrugCentral 2126
FDA SRS DD5K7529CE
Human Metabolome Database HMDB0015050
KEGG C07673
PDB 8CV
PharmGKB PA1000
PubChem 8249
SureChEMBL SCHEMBL8424
ZINC ZINC000005851063