Details of the Drug

General Information of Drug (ID: DMCPF90)

Drug Name
Mivebresib
Synonyms
ABBV-075; 1445993-26-9; UNII-VR86R11J7J; VR86R11J7J; N-[4-(2,4-Difluorophenoxy)-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)phenyl]ethanesulfonamide; N-(4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide; 8NG; Mivebresib [INN]; ABBV-075 (Mivebresib); ABBV075; GTPL9117; SCHEMBL15068241; CHEMBL3987016; Mivebresib(ABBV-075 pound(c); MolPort-044-561-801; RDONXGFGWSSFMY-UHFFFAOYSA-N; BDBM220447; EX-A1082; s8400; ZINC146486516; AKOS030628486; CS-5815
Indication
Disease Entry ICD 11 Status REF
Acute myeloid leukaemia 2A60 Phase 1 [1]
Multiple myeloma 2A83 Phase 1 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 459.5
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H19F2N3O4S
IUPAC Name
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
Canonical SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C
InChI
InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
InChIKey
RDONXGFGWSSFMY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71600087
ChEBI ID
CHEMBL3987016
CAS Number
1445993-26-9
TTD ID
D0M2TS
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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
Bromodomain and extraterminal domain protein (BET) TTE4BSY NOUNIPROTAC Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-2 (PLCH2) OTYERO80 PLCH2_HUMAN Gene/Protein Processing [2]
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT6 (FUT6) OTBZUQ7F FUT6_HUMAN Gene/Protein Processing [2]
7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase (CYP8B1) OTRI4UR1 CP8B1_HUMAN Gene/Protein Processing [2]
Actin-binding LIM protein 2 (ABLIM2) OT62KOXF ABLM2_HUMAN Gene/Protein Processing [2]
Aldo-keto reductase family 1 member D1 (AKR1D1) OTBDJ6RL AK1D1_HUMAN Gene/Protein Processing [2]
Alpha-internexin (INA) OT1D33T4 AINX_HUMAN Gene/Protein Processing [2]
Apolipoprotein L3 (APOL3) OT95SQHR APOL3_HUMAN Gene/Protein Processing [2]
Apoptosis-inducing factor 3 (AIFM3) OTSWKCAO AIFM3_HUMAN Gene/Protein Processing [2]
Arrestin domain-containing protein 4 (ARRDC4) OTINJ0FX ARRD4_HUMAN Gene/Protein Processing [2]
AT-rich interactive domain-containing protein 1A (ARID1A) OTRWDV3P ARI1A_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Comprehensive transcriptome profiling of BET inhibitor-treated HepG2 cells. PLoS One. 2022 Apr 29;17(4):e0266966. doi: 10.1371/journal.pone.0266966. eCollection 2022.
3 Superior efficacy of cotreatment with BET protein inhibitor and BCL2 or MCL1 inhibitor against AML blast progenitor cells. Blood Cancer J. 2019 Jan 15;9(2):4. doi: 10.1038/s41408-018-0165-5.