TOFIMILAST

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5D7022962A

Structure
InChI Key DHCOPPHTVOXDKU-UHFFFAOYSA-N
Smile CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2
InChI
InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21N5S
Molecular Weight 339.47
AlogP 4.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 48.53
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 4 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- 23 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 13 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 13 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 1300-5200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 185954-27-2
ChEMBL CHEMBL217899
DrugBank DB11681
FDA SRS 5D7022962A
PubChem 9896267
SureChEMBL SCHEMBL230762
ZINC ZINC000000021914
CONTENTS