rezvilutamide   Click here for help

GtoPdb Ligand ID: 12798

Synonyms: Ariane® | example 44 [WO2014036897A1] | SHR-3680 | SHR3680
Approved drug
rezvilutamide is an approved drug (China NMPA (2022))
Compound class: Synthetic organic
Comment: Rezvilutamide is an oral, nonsteroidal androgen receptor antagonist [3].

rezvilutamide is commercially available from our sponsors

2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 129.12
Molecular weight 479.47
XLogP 1.41
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES CC1(C)C(=O)N(C2=CC=C(C#N)C(=C2)C(F)(F)F)C(=S)N1C3=CC=C(C=C3)OC[C@H](CO)O
Isomeric SMILES CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
InChI InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1
InChI Key KRBMOYIWQCZVHA-INIZCTEOSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
No information available.
Summary of Clinical Use Click here for help
Rezvilutamide is approved in China as a treatment for metastatic hormone-sensitive prostate cancer [2].
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT05009290 A Trial of SHR3680 in Prostate Cancer Patients Who Are Candidates for Radical Prostatectomy Phase 3 Interventional Jiangsu HengRui Medicine Co., Ltd.
NCT02691975 A Safety and Efficacy Study of SHR3680 in Metastatic Castration-Resistant Prostate Cancer Patients Phase 1/Phase 2 Interventional Jiangsu HengRui Medicine Co., Ltd. 4
NCT03520478 A Study of SHR3680 in Treating Patients With Hormone Sensitive Prostate Cancer Phase 3 Interventional Jiangsu HengRui Medicine Co., Ltd. 1