LAPACHONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6N4FA2QQ6A

Structure
InChI Key QZPQTZZNNJUOLS-UHFFFAOYSA-N
Smile CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O
InChI
InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14O3
Molecular Weight 242.27
AlogP 2.75
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1200-1900 - 109 10
Enzyme Oxidoreductase
- 440-1000 - 100-100 -
Enzyme Phosphodiesterase
- 970 - - -
Enzyme Transferase
- 120 - - -
Enzyme
- 440-1000 - 100-100 10
Epigenetic regulator Eraser Lysine demethylase Jumonji domain-containing
- 3000-3000 - 3550 -
Other cytosolic protein
- 2100 - - -
Transcription factor
- 4000 - - -
Unclassified protein
- 590-1300 - - 77-99

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma 1 D002277 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 10429
ChEMBL CHEMBL15192
DrugBank DB11948
EPA CompTox DTXSID90197019
FDA SRS 6N4FA2QQ6A
KEGG C10367
PubChem 3885
SureChEMBL SCHEMBL107042
ZINC ZINC000001531790
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