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duvelisib

PI3K inhibitor
Class type of: chemical compound Q27077129

Facts

15 properties
Instance of
type of chemical entity
Subclass of
chemical compound
Has use
medication
Active ingredient in
Copiktra
Canonical SMILES
CC(C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
Chemical formula
C₂₂H₁₇ClN₆O
Different from
Duvelisib
Has active ingredient
Duvelisib
Isomeric SMILES
C[C@@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
Legal status (medicine)
boxed warning
LiverTox likelihood score
LiverTox toxicity likelihood category E*
Mass
416.115237
Medical condition treated
chronic lymphocytic leukemia, follicular lymphoma
Physically interacts with
Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma
Subject has role
protein kinase inhibitors, phosphoinositide-3 kinase inhibitor
🏷️ Also known as
en duvelisib en INK-1197 en IPI-145 ar دوفيليسيب ru Дувелисиб
🔖 Identifiers · 24
CAS Registry Number
1201438-56-3
ChEBI ID
131169
ChEMBL ID
CHEMBL3039502
ChemSpider ID
28637766
DSSTOX compound identifier
DTXCID2075188
DSSTox substance ID
DTXSID80152697
DrugBank ID
DB11952
DrugCentral ID
5296
EC number
813-697-9
ECHA Substance Infocard ID
100.245.560
Google Knowledge Graph ID
/g/11bxfz5v5z
Guide to Pharmacology Ligand ID
7795
Show all 24 identifiers +12
InChI
InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1
InChIKey
SJVQHLPISAIATJ-ZDUSSCGKSA-N
LiverTox ID
Duvelisib
MedlinePlus drug identifier
a618056
Microsoft Academic ID (discontinued)
2776847914
National Drug Code
11014-0348, 11014-0347
Probes And Drugs ID
PD010647
PubChem CID
50905713
SureChEMBL ID
18343557, 153543
UNII
610V23S0JI
UniChem compound ID
27375792
WikiProjectMed ID
Duvelisib

Report an error or request removal Lineage (PROV-JSON)

🔗 Connections
Medical condition treated 2
chronic lymphocytic leukemia, follicular lymphoma
Has use 1
medication
Legal status (medicine) 1
boxed warning
Subclass of 1
chemical compound
Subject has role 1
protein kinase inhibitors
← Product or material produced 1
Verastem Oncology
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Summary

duvelisib is a type of chemical entity[1].

Key Facts

  • Physically interacts with: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma[2]
  • Canonical SMILES: CC(C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5[3]
  • Chemical formula: C₂₂H₁₇ClN₆O[4]
  • Subclass of: chemical compound[5]
  • Has use: medication[6]
  • Different from: Duvelisib[7]
  • Isomeric SMILES: CC@@HNC4=NC=NC5=C4NC=N5C@@HNC4=NC=NC5=C4NC=N5">[8]
  • Mass: 416.115237 dalton[9]
  • Medical condition treated: chronic lymphocytic leukemia[10], follicular lymphoma[11]

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . Open Targets Platform. Retrieved . platform.opentargets.org. Provenance: wikidata.org.
  2. [3] ↑ . PubChem. Retrieved . wikidata.org.
  3. [4] ↑ . PubChem. Retrieved . wikidata.org.
  4. [5] ↑ . wikidata.org.
  5. [6] ↑ . fda.gov. fda.gov. Provenance: wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . PubChem. Retrieved . wikidata.org.
  8. [9] ↑ . PubChem. Retrieved . wikidata.org.
  9. [10] ↑ . wikidata.org.
  10. [11] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). duvelisib. Retrieved November 8, 2026, from https://4ort.xyz/entity/duvelisib
MLA “duvelisib.” 4ort.xyz Knowledge Graph, 4ort.xyz, 8 Nov. 2026, https://4ort.xyz/entity/duvelisib.
BibTeX @misc{4ortxyz_duvelisib_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{duvelisib}}, year = {2026}, url = {https://4ort.xyz/entity/duvelisib}, note = {Accessed: 2026-11-08}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): duvelisib — https://4ort.xyz/entity/duvelisib (retrieved 2026-11-08)

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