Details of the Drug

General Information of Drug (ID: DMOTY3G)

Drug Name	L-657925
Synonyms	L-657926
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	373.8
	Logarithm of the Partition Coefficient (xlogp)	4.9
	Rotatable Bond Count (rotbonds)	4
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C21H21ClFNO2 IUPAC Name 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4,4a,9a-hexahydrocarbazol-1-yl]acetic acid Canonical SMILES C1CC(C2C(C1)C3=C(N2CC4=CC=C(C=C4)Cl)C=CC(=C3)F)CC(=O)O InChI InChI=1S/C21H21ClFNO2/c22-15-6-4-13(5-7-15)12-24-19-9-8-16(23)11-18(19)17-3-1-2-14(21(17)24)10-20(25)26/h4-9,11,14,17,21H,1-3,10,12H2,(H,25,26) InChIKey USFMJLOJQLMDAA-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 129772 CAS Number 122757-59-9 TTD ID D0E3UM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thromboxane A2 receptor (TBXA2R)	TT2O84V	TA2R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Thromboxane A2 receptor (TBXA2R)	DTT	TBXA2R	2.78E-04	-0.11	-0.31

Molecular Expression Atlas (MEA)

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References

1	Novel synthesis and biochemical properties of an [125I]-labeled photoaffinity probe for thromboxane A2/prostaglandin H2 receptors. J Med Chem. 1991 Apr;34(4):1511-4.