General Information of the Compound
Compound ID
CP0137899
Compound Name
US10633379, Example 35
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Synonyms
2138861-99-9
9MX546E2SF
ABBV 744
ABBV-744
ABBV744
ACN-054460
CS-0043318
EX-A2713
HWV
HY-112090
N-ethyl-4-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
OEDSFMUSNZDJFD-UHFFFAOYSA-N
SCHEMBL19463409
UNII-9MX546E2SF
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Structure
Formula
C28H30FN3O4
Molecular Weight
491.563
Canonical SMILES
CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
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InChI
InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)
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InChIKey
OEDSFMUSNZDJFD-UHFFFAOYSA-N
CAS
2138861-99-9
Physicochemical Property
logP
5.05894
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
96.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 132010322
ChEMBL ID
CHEMBL4297454
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000095 NCI-H1299
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( ABBV-744 )
Drug Name ABBV-744
Company AbbVieNorth Chicago, IL
Indication
Prostate cancer
Phase 1
Acute myeloid leukaemia
Phase 1
Target(s)
Bromodomain-containing protein 4 (BRD4)
 Target Info 
Inhibitor
Bromodomain-containing protein 3 (BRD3)
 Target Info 
Inhibitor
Bromodomain-containing protein 2 (BRD2)
 Target Info 
Inhibitor
Drug 2 ( ABBV-744 )
Drug Name ABBV-744
Indication
Coronavirus Disease 2019 (COVID-19)
Investigative
Target(s)
HUMAN bromodomain-containing protein 2 (BRD2)
 Target Info 
Inhibitor