DCFPYL

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 82VH67YON8

Structure
InChI Key OLWVRJUNLXQDSP-RYUDHWBXSA-N
Smile O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)nc1)C(=O)O)C(=O)O
InChI
InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23FN4O8
Molecular Weight 442.4
AlogP 0.19
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 13.0
Polar Surface Area 195.02
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MH clan Metallo protease M28 family Metallo protease M28B subfamily
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Cross References

Resources Reference
ChEMBL CHEMBL4299851
FDA SRS 82VH67YON8
PubChem 71532123
SureChEMBL SCHEMBL18161454
ZINC ZINC000197909928
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