Details of the Drug

General Information of Drug (ID: DML0PFU)

Drug Name

PMID24997608CA

Synonyms

1599477-75-4; GPR120-IN-1; GPR120 Compound A; GTPL8418; MolPort-039-136-860; EX-A1318; BCP19379; BDBM50208095; ZINC209053267; AKOS025289518; CS-6429; HY-101492

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

405.8

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C19H23ClF3NO3
IUPAC Name: 2-[3-[2-chloro-5-(trifluoromethoxy)phenyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
Canonical SMILES: C1CC2(CCC1CC(=O)O)CCN(CC2)C3=C(C=CC(=C3)OC(F)(F)F)Cl
InChI: InChI=1S/C19H23ClF3NO3/c20-15-2-1-14(27-19(21,22)23)12-16(15)24-9-7-18(8-10-24)5-3-13(4-6-18)11-17(25)26/h1-2,12-13H,3-11H2,(H,25,26)
InChIKey: WUJVPELCYCESAP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 73777063
TTD ID: D01VIX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
G-protein coupled receptor 120 (GPR120)	TT08JVB	FFAR4_HUMAN	Agonist	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A Gpr120-selective agonist improves insulin resistance and chronic inflammation in obese mice. Nat Med. 2014 Aug;20(8):942-7.