QUISINOSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9BJ85K1J8S

Structure
InChI Key PAWIYAYFNXQGAP-UHFFFAOYSA-N
Smile Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21
InChI
InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N6O2
Molecular Weight 394.48
AlogP 2.09
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 95.31
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 0-4 23 0-7 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 1-5 28 0-7 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 1-40 - 0-4 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 0 - 0-1300 -
Unclassified protein
- 5-5 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma, T-Cell, Cutaneous 2 D016410 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 875320-29-9
ChEBI 94771
ChEMBL CHEMBL2105763
DrugBank DB12985
EPA CompTox DTXSID90236376
FDA SRS 9BJ85K1J8S
Guide to Pharmacology 7503
PDB GOK
PubChem 11538455
SureChEMBL SCHEMBL2360460
ZINC ZINC000035836133
CONTENTS