CITARINOSTAT

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 441P620G3P

Structure
InChI Key VLIUIBXPEDFJRF-UHFFFAOYSA-N
Smile O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO
InChI
InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26ClN5O3
Molecular Weight 467.96
AlogP 4.79
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 107.45
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- 45-318 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- 2-3 - - -
Unclassified protein
- 154 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3693786
DrugBank DB15449
FDA SRS 441P620G3P
Guide to Pharmacology 9426
SureChEMBL SCHEMBL2225863
ZINC ZINC000098023187
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