darolutamide   Click here for help

GtoPdb Ligand ID: 10439

Synonyms: BAY-1841788) | BAY1841788 | example 56 [US9657003] | Nubeqa® | ODM-201 | ODM201
Approved drug
darolutamide is an approved drug (FDA (2019), EMA (2020))
Compound class: Synthetic organic
Comment: Darolutamide is a nonsteroidal, potent and selective antagonist of the androgen receptor (antiandrogen) [1,3]. It is able to overcome resistance to current nonsteroidal androgen receptor-targeted therapies (enzalutamide and apalutamide). Darolutamide was developed by Orion and Bayer HealthCare.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 119.62
Molecular weight 398.13
XLogP 3.32
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(cc1Cl)c1ccn(n1)CC(NC(=O)c1n[nH]c(c1)C(O)C)C
Isomeric SMILES N#Cc1ccc(cc1Cl)c1ccn(n1)C[C@@H](NC(=O)c1n[nH]c(c1)C(O)C)C
InChI InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2019), EMA (2020))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10227 darolutamide
Synonyms Click here for help
BAY-1841788) | BAY1841788 | example 56 [US9657003] | Nubeqa® | ODM-201 | ODM201
Database Links Click here for help
BindingDB Ligand 309979
CAS Registry No. 1297538-32-9 (source: WHO INN record)
GtoPdb PubChem SID 385612199
PubChem CID 67171867
Search Google for chemical match using the InChIKey BLIJXOOIHRSQRB-PXYINDEMSA-N
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UniChem Compound Search for chemical match using the InChIKey BLIJXOOIHRSQRB-PXYINDEMSA-N
UniChem Connectivity Search for chemical match using the InChIKey BLIJXOOIHRSQRB-PXYINDEMSA-N