GIVINOSTAT

Search structure
Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5P60F84FBH

Structure
InChI Key YALNUENQHAQXEA-UHFFFAOYSA-N
Smile CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1
InChI
InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27N3O4
Molecular Weight 421.5
AlogP 4.55
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 90.9
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 133 - 2-2 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 512 - 1050-1050 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 44-312 - 4-4 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 287 - - -
Unclassified protein
- 136 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Muscular Dystrophy, Duchenne 3 D020388 ClinicalTrials
Muscular Dystrophy, Duchenne 3 D020388 ClinicalTrials
Muscular Dystrophy, Duchenne 3 D020388 ClinicalTrials
Myeloproliferative Disorders 2 D009196 ClinicalTrials
Arthritis, Juvenile 2 D001171 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Polycythemia Vera 1 D011087 ClinicalTrials
Crohn Disease 1 D003424 ClinicalTrials
Hodgkin Disease 1 D006689 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 497833-27-9
ChEBI 94187
ChEMBL CHEMBL1213492
DrugBank DB12645
EPA CompTox DTXSID70198049
FDA SRS 5P60F84FBH
Guide to Pharmacology 7490
PDB QCM
PubChem 9804992
SureChEMBL SCHEMBL1555814
ZINC ZINC000003820616
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