RG-4733

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KK8645V7LE

Structure
InChI Key OJPLJFIFUQPSJR-INIZCTEOSA-N
Smile CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21
InChI
InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H20F5N3O3
Molecular Weight 469.41
AlogP 3.8
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 87.3
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Gamma-secretase inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AD clan Aspartic protease A22A subfamily Aspartic protease A22A regulatory subfamily
5-14 4 - - -
Enzyme
5-14 4 - - -
Ion channel Other ion channel Miscellaneous ion channel Presenilin ER Ca2+ leak channel family
5-14 4 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colonic Neoplasms 2 D003110 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Gliosarcoma 2 D018316 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Triple Negative Breast Neoplasms 2 D064726 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Astrocytoma 1 D001254 ClinicalTrials
Oligodendroglioma 1 D009837 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 86474
ChEMBL CHEMBL4297422
DrugBank DB11870
EPA CompTox DTXSID20233833
FDA SRS KK8645V7LE
Guide to Pharmacology 7338
PubChem 49867930
SureChEMBL SCHEMBL1376366
ZINC ZINC000043208642
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