Danicopan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H23BrFN7O3
Molecular Weight	580.408
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC(=O)C1=NN(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC3=CC=CC(Br)=N3)C4=C1C=C(C=C4)C5=CN=C(C)N=C5

InChI

InChIKey=PIBARDGJJAGJAJ-NQIIRXRSSA-N

InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H23BrFN7O3
Molecular Weight	580.408
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	Analyte	Population
349 ng/mL	100 mg 3 times / day multiple, oral	DANICOPAN plasma	Homo sapiens
465 ng/mL	150 mg 3 times / day multiple, oral	DANICOPAN plasma	Homo sapiens
543 ng/mL	175 mg 3 times / day multiple, oral	DANICOPAN plasma	Homo sapiens

AUC

Value	Dose	Analyte	Population
1476 ng × h/mL	100 mg 3 times / day multiple, oral	DANICOPAN plasma	Homo sapiens
2019 ng × h/mL	150 mg 3 times / day multiple, oral	DANICOPAN plasma	Homo sapiens
2231 ng × h/mL	175 mg 3 times / day multiple, oral	DANICOPAN plasma	Homo sapiens

Substance Class	Chemical
Record UNII	JM8C1SFX0U
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

Danicopan

Official Name

English

ACH-4471

Preferred Name

English

DANICOPAN [JAN]

Common Name

English

(2S,4R)-1-(2-(3-ACETYL-5-(2-METHYLPYRIMIDIN-5-YL)-1H-INDAZOL-1-YL)ACETYL)-N-(6-BROMOPYRIDIN-2-YL)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE

Systematic Name

English

danicopan [INN]

Common Name

English

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Classification Tree

Code System

Code

Designated

FDA ORPHAN DRUG

512715

Positive

EU-Orphan Drug

EU/3/18/1989

Designated

FDA ORPHAN DRUG

617117

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Code System

Code

Type

Description

INN

10610

PRIMARY

NCI_THESAURUS

C148181

PRIMARY

SMS_ID

100000175510

PRIMARY

FDA UNII

JM8C1SFX0U

PRIMARY

DAILYMED

JM8C1SFX0U

PRIMARY

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Related Record

Type

Details


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

92.2 % (average)


					C23A33SC67

MELATONIN MT1 RECEPTOR

OFF-TARGET->INHIBITOR

Comments:

IC50 values for the human melatonin receptor (in vitro) are notably lower (2-fold to 11-fold) than the danicopan concentration expected to be achieved at the MRHD it.

Qualification:

IC50

Amount:

0.038 MICROMOLAR (average)