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Details

Stereochemistry ACHIRAL
Molecular Formula C26H25N3O3
Molecular Weight 427.495
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORELABRUTINIB

SMILES

NC(=O)C1=C(N=C(C=C1)C2CCN(CC2)C(=O)C=C)C3=CC=C(OC4=CC=CC=C4)C=C3

InChI

InChIKey=MZPVEMOYADUARK-UHFFFAOYSA-N
InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)

HIDE SMILES / InChI

Molecular Formula C26H25N3O3
Molecular Weight 427.495
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Cmax

ValueDoseCo-administeredAnalytePopulation
805 ng/mL
100 mg 2 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens
1250 ng/mL
150 mg single, oral
ORELABRUTINIB plasma
Homo sapiens
1330 ng/mL
150 mg 1 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens
1040 ng/mL
100 mg 2 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
4760 ng × h/mL
100 mg 2 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens
7230 ng × h/mL
150 mg single, oral
ORELABRUTINIB plasma
Homo sapiens
8170 ng × h/mL
150 mg 1 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens
5360 ng × h/mL
100 mg 2 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
2.47 h
100 mg 2 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens
4.12 h
150 mg single, oral
ORELABRUTINIB plasma
Homo sapiens
4.41 h
150 mg 1 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens
2.6 h
100 mg 2 times / day multiple, oral
ORELABRUTINIB plasma
Homo sapiens
Substance Class Chemical
Record UNII
WJA5UO9E10
Record Status Validated (UNII)
Record Version