MK-0873

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K4KAC9XCCO

Structure
InChI Key JJWKQXNHYDJXKF-UHFFFAOYSA-N
Smile O=C(NC1CC1)c1cn(-c2cccc(C#Cc3ccc[n+]([O-])c3)c2)c2ncccc2c1=O
InChI
InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H18N4O3
Molecular Weight 422.44
AlogP 2.31
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 90.93
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 4 inhibitor ClinicalTrials PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 40000-41000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4A
- 5-190 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4B
- 5-190 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4C
- 5-190 - - -
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 5-190 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 65700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Psoriasis 1 D011565 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 500355-52-2
ChEMBL CHEMBL485629
DrugBank DB13029
EPA CompTox DTXSID80198191
FDA SRS K4KAC9XCCO
Guide to Pharmacology 9853
PubChem 9919680
SureChEMBL SCHEMBL4950462
ZINC ZINC000034027294
CONTENTS