BRENSOCATIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 25CG88L0BB

Structure
InChI Key AEXFXNFMSAAELR-RXVVDRJESA-N
Smile Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4CNCCCO4)cc3)cc21
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24N4O4
Molecular Weight 420.47
AlogP 1.73
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 109.29
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dipeptidyl peptidase I inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 19.95 - - -
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 3.981-208.93 2.512 - 10.05
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 12.07

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bronchiectasis 3 D001987 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3900409
DrugBank DB15638
FDA SRS 25CG88L0BB
Guide to Pharmacology 9412
SureChEMBL SCHEMBL16932317
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