TAK-915

Search structure


Synonyms:	Tak-915
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	0M4DME62Y9

Structure


InChI Key	AWJSRXUQLSPAOI-CQSZACIVSA-N
Smile	COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc21)c1ccc(OC(F)(F)F)c(F)c1
InChI	InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H18F4N4O5
Molecular Weight	458.37
AlogP	2.98
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	102.02
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	32.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1A	-	2497	-	-	-
Enzyme Phosphodiesterase Phosphodiesterase 2 Phosphodiesterase 2A	-	1	-	-	-
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D	-	14882	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL4060569
FDA SRS	0M4DME62Y9
PDB	9GJ
PubChem	72190879
SureChEMBL	SCHEMBL16563410

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