PANOBINOSTAT

Search structure
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L01XH03
UNII: 9647FM7Y3Z

Structure
InChI Key FPOHNWQLNRZRFC-ZHACJKMWSA-N
Smile Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChI
InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N3O2
Molecular Weight 349.43
AlogP 3.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 77.15
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
170 1-26 - 1-22 100
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- 27-10390 - 1-640 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
151 2-130 - 1-54 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- 1-30 - 4-1200 -
Epigenetic regulator Reader Bromodomain
- 5 - - -
Transcription factor
130 - - - -
Unclassified protein
- 2-2 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Multiple Myeloma 3 D009101 ClinicalTrials
Hodgkin Disease 3 D006689 ClinicalTrials
Hodgkin Disease 3 D006689 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Thyroid Neoplasms 2 D013964 ClinicalTrials
Lymphoma, Non-Hodgkin 2 D008228 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Lymphoma, T-Cell, Cutaneous 2 D016410 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 2 D015464 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 2 D054198 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Leukemia, Plasma Cell 2 D007952 ClinicalTrials
Plasmacytoma 2 D010954 ClinicalTrials
Waldenstrom Macroglobulinemia 2 D008258 ClinicalTrials
Diffuse Intrinsic Pontine Glioma 2 D000080443 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Graft vs Host Disease 2 D006086 ClinicalTrials
Hematologic Neoplasms 2 D019337 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials
Skin Neoplasms 1 D012878 ClinicalTrials
Anemia, Sickle Cell 1 D000755 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Polycythemia Vera 1 D011087 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Primary Myelofibrosis 1 D055728 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Nasopharyngeal Neoplasms 1 D009303 ClinicalTrials
Lymphoma, Mantle-Cell 1 D020522 ClinicalTrials
Leukemia, Myelomonocytic, Chronic 1 D015477 ClinicalTrials
Liver Neoplasms 1 D008113 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 404950-80-7
ChEBI 85990
ChEMBL CHEMBL483254
DrugBank DB06603
DrugCentral 4682
EPA CompTox DTXSID40193506
FDA SRS 9647FM7Y3Z
Guide to Pharmacology 7489
PDB LBH
PharmGKB PA166161307
PubChem 6918837
SureChEMBL SCHEMBL22773814
ZINC ZINC000022010649
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