RALANITEN ACETATE

Search structure


Synonyms:	EPI-506
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	L10K286T2H

Structure


InChI Key	HGHVYYKTOXUQNT-CLJLJLNGSA-N
Smile	CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O
InChI	InChI=1S/C27H33ClO8/c1-18(29)32-16-26(36-20(3)31)17-34-24-12-8-22(9-13-24)27(4,5)21-6-10-23(11-7-21)33-15-25(14-28)35-19(2)30/h6-13,25-26H,14-17H2,1-5H3/t25-,26-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C27H33ClO8
Molecular Weight	521.01
AlogP	4.44
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	13.0
Polar Surface Area	97.36
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	36.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4	-	9600	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL4297675
FDA SRS	L10K286T2H
SureChEMBL	SCHEMBL16232971

CONTENTS