Details of the Drug

General Information of Drug (ID: DMJWRQP)

Drug Name
Zanubrutinib
Synonyms
RNOAOAWBMHREKO-UHFFFAOYSA-N; 1633350-06-7; ( inverted exclamation markA)-Zanubrutinib; CHEMBL3973435; SCHEMBL19742851; SCHEMBL16208602; BGB3111; BDBM249900; BCP29110; BCP25045; BCP25838; AKOS032946689; SB18877; CS-6366; ( inverted exclamation markA)-BGB-3111; HY-101474; US9447106, 27
Indication
Disease Entry ICD 11 Status REF
Mantle cell lymphoma 2A85.5 Approved [1]
Chronic lymphocytic leukaemia 2A82.0 Phase 3 [2]
Small lymphocytic lymphoma 2A82.0 Phase 3 [2]
Waldenstrom macroglobulinemia 2A85.4 Phase 3 [2]
B-cell lymphoma 2A86 Phase 1 [2]
Affected Organisms
Humans and other mammals
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 471.5
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C27H29N5O3
IUPAC Name
2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Canonical SMILES
C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)
InChIKey
RNOAOAWBMHREKO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135905454
ChEBI ID
CHEMBL3973435
UNII
AG9MHG098Z
DrugBank ID
DB15035
TTD ID
D0UT4W
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosine-protein kinase BTK (ATK) TTGM6VW BTK_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Mantle cell lymphoma
ICD Disease Classification 2A85.5
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tyrosine-protein kinase BTK (ATK) DTT BTK 3.54E-01 0.24 0.56
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)