POLMACOXIB

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Synonyms:	CG-100649 CG100649 Polmacoxib
Status:	Phase 3
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	M01AH07
UNII:	IJ34D6YPAO

Structure


InChI Key	IJWPAFMIFNSIGD-UHFFFAOYSA-N
Smile	CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O
InChI	InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H16FNO4S
Molecular Weight	361.39
AlogP	2.72
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	86.46
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	25.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Carbonic anhydrase II inhibitor	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	3	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Osteoarthritis, Hip	3	D015207	ClinicalTrials
Osteoarthritis	2	D010003	ClinicalTrials
Osteoarthritis, Knee	2	D020370	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Cross References

Resources	Reference
CAS NUMBER	301692-76-2
ChEMBL	CHEMBL166863
DrugBank	DB12399
DrugCentral	5240
FDA SRS	IJ34D6YPAO
Guide to Pharmacology	8316
PDB	949
PubChem	9841854
SureChEMBL	SCHEMBL3233093
ZINC	ZINC000000589683

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