PRACINOSTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GPO2JN4UON

Structure
InChI Key JHDKZFFAIZKUCU-ZRDIBKRKSA-N
Smile CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC
InChI
InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30N4O2
Molecular Weight 358.49
AlogP 3.24
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 70.39
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Primary Target
histone deacetylase 10
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 140-2835 - 16-27 93
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 126 - 107 93
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 82-3162 - 23 93
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 126 - 43 93
Unclassified protein
- 70 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Myeloproliferative Disorders 2 D009196 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEBI 95071
ChEMBL CHEMBL1851943
DrugBank DB05223
EPA CompTox DTXSID00239196
FDA SRS GPO2JN4UON
Guide to Pharmacology 8365
PubChem 49855250
SureChEMBL SCHEMBL833105
ZINC ZINC000043152558
CONTENTS