Details of the Drug

General Information of Drug (ID: DMT2C78)

Drug Name
Brensocatib
Synonyms AZD7986; AZD-7986; UNII-25CG88L0BB; 25CG88L0BB; INS1007; INS-1007; AZD 7986
Indication
Disease Entry ICD 11 Status REF
Coronavirus Disease 2019 (COVID-19) 1D6Y Preclinical [1]
Therapeutic Class
Antiviral Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 420.5
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C23H24N4O4
IUPAC Name
(2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
Canonical SMILES
CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)OC1=O
InChI
InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
InChIKey
AEXFXNFMSAAELR-RXVVDRJESA-N
Cross-matching ID
PubChem CID
118253852
ChEBI ID
CHEMBL3900409
CAS Number
1802148-05-5
UNII
25CG88L0BB
DrugBank ID
DB15638
TTD ID
D0HM5J
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HUMAN dipeptidyl peptidase 1 (CTSC) TTQ9J6R CATC_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Brensocatib (Formerly INS1007) to be Studied in Patients with Severe COVID-19 in Investigator-Initiated Trial. Apr 23, 2020.