BI 639667

Search structure


Synonyms:	Bi 639667
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UKNOWN

Structure


InChI Key	PXQATVYJKMMHAU-UHFFFAOYSA-N
Smile	CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1
InChI	InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H18FN5O3S
Molecular Weight	451.48
AlogP	2.78
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	106.84
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	32.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	68000	-	-	-
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor	-	2-2	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL4456123
SureChEMBL	SCHEMBL1670702

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