REMINERTANT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5JBP4SI96H

Structure
InChI Key DYLJVOXRWLXDIG-UHFFFAOYSA-N
Smile COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12
InChI
InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H31ClN4O5
Molecular Weight 587.08
AlogP 5.77
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 115.57
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Neurotensin receptor 1 antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurotensin receptor
120 1-82 8-33 3 -
Membrane receptor
120 1-82 8-33 3 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 125516
ChEMBL CHEMBL506981
DrugBank DB06455
EPA CompTox DTXSID40163360
FDA SRS 5JBP4SI96H
Guide to Pharmacology 1582
SureChEMBL SCHEMBL1650932
ZINC ZINC000001482927
CONTENTS