Details of the Drug

General Information of Drug (ID: DMED9QV)

Drug Name

INCB40093

Synonyms

Dezapelisib; 1262440-25-4; UNII-2K59L7G59M; CHEMBL2216863; INCB040093; 2K59L7G59M; Dezapelisib (USAN); Dezapelisib [USAN]; (S)-7-(1-(9H-purin-6-ylamino)ethyl)-6-(3-fluorophenyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one; SCHEMBL975754; GTPL9728; INCB40093; RSIWALKZYXPAGW-NSHDSACASA-N; INCB 40093; BDBM50004547; SB18837; example 15 [WO2011008487]; compound 67 [PMID: 22924688]; D10924; 6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one; 6-(3-fluorophenyl)-3-methyl-7-((1S)-1-(9

Indication

Disease Entry	ICD 11	Status	REF
Lymphoma	2A80-2A86	Phase 1/2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

421.5

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C20H16FN7OS
IUPAC Name: 6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Canonical SMILES: CC1=CSC2=NC(=C(C(=O)N12)C3=CC(=CC=C3)F)[C@H](C)NC4=NC=NC5=C4NC=N5
InChI: InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1
InChIKey: RSIWALKZYXPAGW-NSHDSACASA-N

Cross-matching ID

PubChem CID: 58111426
CAS Number: 1262440-25-4
UNII: 2K59L7G59M
DrugBank ID: DB16137
TTD ID: D07CWH

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Lymphoma

ICD Disease Classification

2A80-2A86

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

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800038471)
2	INCB40093 is a selective PI3Kdelta inhibitor with potent antiproliferative activity against human B-cell tumors.