APC-100

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7G73627R36

Structure
InChI Key SEBPXHSZHLFWRL-UHFFFAOYSA-N
Smile Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2
InChI
InChI=1S/C14H20O2/c1-8-9(2)13-11(10(3)12(8)15)6-7-14(4,5)16-13/h15H,6-7H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20O2
Molecular Weight 220.31
AlogP 3.42
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Androgen Receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 2.585
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.49-20.74

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL37676
DrugBank DB13111
EPA CompTox DTXSID70241721
FDA SRS 7G73627R36
Human Metabolome Database HMDB40217
PubChem 99479
SureChEMBL SCHEMBL633424
ZINC ZINC000000056973
CONTENTS