General Information of the Compound
Compound ID
CP0069311
Compound Name
US10633379, Compound X
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Synonyms
1445993-26-9
8NG
ABBV-075
ABBV-075 (Mivebresib)
ABBV075
AKOS030628486
BDBM220447
CHEMBL3987016
CS-5815
EX-A1082
GTPL9117
Mivebresib
Mivebresib [INN]
Mivebresib(ABBV-075 pound(c)
MolPort-044-561-801
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
RDONXGFGWSSFMY-UHFFFAOYSA-N
SCHEMBL15068241
UNII-VR86R11J7J
VR86R11J7J
ZINC146486516
s8400
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Structure
Formula
C22H19F2N3O4S
Molecular Weight
459.474
Canonical SMILES
CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
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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
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InChIKey
RDONXGFGWSSFMY-UHFFFAOYSA-N
CAS
1445993-26-9
Physicochemical Property
logP
4.3657
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
93.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
32

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 71600087
SID: 163680963
ChEMBL ID
CHEMBL3987016
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01462, Bromodomain-containing protein 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000095 NCI-H1299
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 20 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 20 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1 nM
2 IC50 = 2.5 nM
3 IC50 = 3 nM
4 IC50 = 11 nM
5 IC50 = 39 nM
6 IC50 = 47 nM
7 IC50 = 69 nM
8 IC50 = 74 nM
9 Kd < 10 nM
10 Ki = 1.5 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000183 MX-1
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 13 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Mivebresib )
Drug Name Mivebresib
Company AbbVieNorth Chicago, IL
Indication
Acute myeloid leukaemia
Phase 1
Multiple myeloma
Phase 1
Solid tumour/cancer
Phase 1