PARSACLISIB

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22ClFN6O2
Molecular Weight	432.879
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PARSACLISIB

SMILES

CCOC1=C(C=C(Cl)C(F)=C1[C@@H]2CNC(=O)C2)[C@H](C)N3N=C(C)C4=C3N=CN=C4N

InChI

InChIKey=ZQPDJCIXJHUERQ-QWRGUYRKSA-N

InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H22ClFN6O2
Molecular Weight	432.879
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

C_max

Value	Dose	Co-administered	Analyte	Population
793 nM	10 mg single, oral		PARSACLISIB plasma	Homo sapiens
954 nM	10 mg single, oral	Itraconazole	PARSACLISIB plasma	Homo sapiens
1650 nM	20 mg single, oral		PARSACLISIB plasma	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
7500 nM × h	10 mg single, oral		PARSACLISIB plasma	Homo sapiens
15600 nM × h	10 mg single, oral	Itraconazole	PARSACLISIB plasma	Homo sapiens
14800 nM × h	20 mg single, oral		PARSACLISIB plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
13.2 h	10 mg single, oral		PARSACLISIB plasma	Homo sapiens
21.1 h	10 mg single, oral	Itraconazole	PARSACLISIB plasma	Homo sapiens
14.7 h	20 mg single, oral		PARSACLISIB plasma	Homo sapiens

F_unbound

Value	Dose	Co-administered	Analyte	Population
5.8%	unknown, unknown		PARSACLISIB plasma	Homo sapiens

Substance Class	Chemical
Record UNII	OS7097575K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INCB-050465

Preferred Name

English

PARSACLISIB

Official Name

English

PARSACLISIB [USAN]

Common Name

English

INCB050465

Code

English

parsaclisib [INN]

Common Name

English

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Classification Tree

Code System

Code

Designated

FDA ORPHAN DRUG

707319

Designated

FDA ORPHAN DRUG

758420

Designated

FDA ORPHAN DRUG

703919

Designated

FDA ORPHAN DRUG

688519

Designated

FDA ORPHAN DRUG

707419

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Code System

Code

Type

Description

INN

10589

PRIMARY

FDA UNII

OS7097575K

PRIMARY

NCI_THESAURUS

C113434

PRIMARY

CAS

1426698-88-5

PRIMARY

SMS_ID

100000177914

PRIMARY

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