Details of the Drug

General Information of Drug (ID: DMGD5QN)

Drug Name
Filaminast
Synonyms
FILAMINAST; Way-pda-641; UNII-CDD69JC61J; 141184-34-1; CDD69JC61J; (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME; FIL; Filaminast [USAN:INN]; Filaminast (USAN/INN); SCHEMBL73844; SCHEMBL73843; CHEMBL590754; BDBM14771; 1-(3-(Cyclopentyloxy)-4-methoxyphenyl)ethanone-(E)-O-(aminocarbonyl)oxime; DB02660; D04185; 3'-(Cyclopentyloxy)-4'-methoxyacetophenone (E)-O-carbamoyloxime; [1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino] carbamate; (E)-{1-[3-(cyclopentyloxy)-4-methoxyphenyl]ethylidene}amino
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 292.33
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H20N2O4
IUPAC Name
[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino] carbamate
Canonical SMILES
C/C(=N\\OC(=O)N)/C1=CC(=C(C=C1)OC)OC2CCCC2
InChI
InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+
InChIKey
STTRYQAGHGJXJJ-LICLKQGHSA-N
Cross-matching ID
PubChem CID
9578243
ChEBI ID
CHEMBL590754
CAS Number
141184-34-1
UNII
CDD69JC61J
DrugBank ID
DB02660
TTD ID
D0H9KW
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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
Phosphodiesterase 4B (PDE4B) TTVIAT9 PDE4B_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Chronic obstructive pulmonary disease
ICD Disease Classification CA22
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 4B (PDE4B) DTT PDE4B 2.75E-01 -0.13 -0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003918)
2 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.