PANOBINOSTAT LACTATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: Salt
UNII: HN0T99OO4V
Parent Compound: PANOBINOSTAT

Structure
InChI Key XVDWNSFFSMWXJJ-ASTDGNLGSA-N
Smile CC(O)C(=O)O.Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
InChI
InChI=1S/C21H23N3O2.C3H6O3/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;1-2(4)3(5)6/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)/b11-10+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N3O5
Molecular Weight 439.51
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

Action Mechanism of Action Reference
INHIBITOR Histone deacetylase inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Investigations
15.07
Gastrointestinal disorders
12.85
General disorders and administration site conditions
11.64
Blood and lymphatic system disorders
9.83
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
7.57
Respiratory, thoracic and mediastinal disorders
6.74
Nervous system disorders
5.83
Infections and infestations
5.45
Metabolism and nutrition disorders
5.36
Cardiac disorders
4.58
Vascular disorders
4.14
Renal and urinary disorders
2.05

Cross References

Resources Reference
ChEBI 85991
ChEMBL CHEMBL3545368
FDA SRS HN0T99OO4V
PubChem 23725423
SureChEMBL SCHEMBL2315056
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