Details of the Drug

General Information of Drug (ID: DMRBFUA)

Drug Name
Z90308237
Synonyms
SCHEMBL18352966; BDBM113300; ZINC12619607; AKOS034677493; MCULE-1271453362; US9695194, 16; Z90308237; 1000928-01-7; 5-(2-chlorophenyl)-6,11,14-trioxa-4-azatricyclo[8.4.0.0^{3,8}]tetradeca-1,3(8),4,9-tetraen-7-one
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 315.71
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H10ClNO4
IUPAC Name
2-(2-chlorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one
Canonical SMILES
C1COC2=C(O1)C=C3C(=C2)N=C(OC3=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2
InChIKey
RMEUFAVEIHZTRM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25400532
ChEBI ID
CHEMBL5836147
TTD ID
D05CJM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Chymotrypsin-C (CLCR) TT3RMNA CTRC_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Benzoxazinone derivatives for treatment of skin diseases. US9695194.