Details of the Drug

General Information of Drug (ID: DM57GL1)

Drug Name
4-(4-fluoropyrazol-1-yl)-1,2-oxazol-5-amine
Synonyms CHEMBL4166624; BDBM50321330
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 168.13
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C6H5FN4O
IUPAC Name
4-(4-fluoropyrazol-1-yl)-1,2-oxazol-5-amine
Canonical SMILES
C1=C(C=NN1C2=C(ON=C2)N)F
InChI
InChI=1S/C6H5FN4O/c7-4-1-9-11(3-4)5-2-10-12-6(5)8/h1-3H,8H2
InChIKey
YCBKZPFCIBXKIG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
145952699
TTD ID
D9Y2KA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tryptophan 2,3-dioxygenase (TDO) TTXNCBV T23O_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Tryptophan metabolism as a common therapeutic target in cancer, neurodegeneration and beyond. Nat Rev Drug Discov. 2019 May;18(5):379-401.