Details of the Drug

General Information of Drug (ID: DMYILGK)

• Drug Name: RP6530
• Synonyms: tenalisib; HDXDQPRPFRKGKZ-INIZCTEOSA-N; Tenalisib; 1639417-53-0; UNII-2261HH611H; 2261HH611H; Tenalisib [INN]; GTPL9907; SCHEMBL16279460; AKOS027325582; RP-6530; RP 6530; CS-6375; HY-17645; 4H-1-Benzopyran-4-one, 3-(3-fluorophenyl)-2-((1S)-1-(9H-purin-6-ylamino)propyl)-; (S)-2-(1-((7H-purin-6-yl)amino)propyl)-3-(3-fluorophenyl)-4H-chromen-4-one; 3-(3-fluorophenyl)-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-4H-chromen-4-one; 3-(3-Fluorophenyl)-2-((1S)-1-((7H-purin-6-yl)amino)propyl)-4H-1-benzopyran-4-one; 1693773-94-2

Indication

Disease Entry	ICD 11	Status	REF
Chronic lymphocytic leukaemia	2A82.0	Phase 2	[1]
Cutaneous T-cell lymphoma	2B01	Phase 1	[2], [3]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 415.4
  Topological Polar Surface Area (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H18FN5O2
  IUPAC Name: 3-(3-fluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]chromen-4-one
  Canonical SMILES: CC[C@@H](C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5
  InChI: InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1
  InChIKey: HDXDQPRPFRKGKZ-INIZCTEOSA-N
• Cross-matching ID:
  PubChem CID: 86291103
  CAS Number: 1639417-53-0
  TTD ID: D0LG7X

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PI3-kinase delta (PIK3CD)	TTGBPJE	PK3CD_HUMAN	Inhibitor	[2], [3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Chronic lymphocytic leukaemia
• ICD Disease Classification: 2A82.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
PI3-kinase delta (PIK3CD)	DTT	PIK3CD	4.31E-16	-0.37	-0.91

References

• [1] ClinicalTrials.gov (NCT04204057) Efficacy and Safety of Tenalisib (RP6530) in Patients With Relapsed/Refractory Chronic Lymphocytic Leukemia (CLL). U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [5] 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
• [7] PI3K-delta and PI3K-gamma inhibition by IPI-145 abrogates immune responses and suppresses activity in autoimmune and inflammatory disease models. Chem Biol. 2013 Nov 21;20(11):1364-74.
• [8] Targeting the phosphoinositide 3-kinase pathway in cancer. Nat Rev Drug Discov. 2009 Aug;8(8):627-44.
• [9] Effective "activated PI3K syndrome"-targeted therapy with the PI3K inhibitor leniolisib. Blood. 2017 Nov 23;130(21):2307-2316.
• [10] Parsaclisib, a potent and highly selective PI3K inhibitor, in patients with relapsed or refractory B-cell malignancies. Blood. 2019 Apr 18;133(16):1742-1752.
• [11] The selective class I PI3K inhibitor CH5132799 targets human cancers harboring oncogenic PIK3CA mutations. Clin Cancer Res. 2011 May 15;17(10):3272-81.
• [12] INCB40093 is a selective PI3Kdelta inhibitor with potent antiproliferative activity against human B-cell tumors.