BQ 788

Search structure


Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	6MB0YNA8DJ

Structure


InChI Key	LPAHKJMGDSJDRG-DJYQTOCQSA-N
Smile	CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)O
InChI	InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21-,22+,25-,26-,27+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C34H51N5O7
Molecular Weight	641.81
AlogP	4.82
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	12.0
Polar Surface Area	159.07
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	46.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb	-	-	-	-	-15.71--9.33

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Cardiovascular Diseases	1	D002318	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL1741040
FDA SRS	6MB0YNA8DJ
PubChem	5311032
SureChEMBL	SCHEMBL14951910
ZINC	ZINC000014276855

CONTENTS