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ABBV-744 | Inhibitor of BRD2, BRD4, BRD3, BRDT
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
BRD2
  • Ki:4.6 nM BD2
  • IC50:11 nM (LNCaP); 9 nM (MDA-PCa-2B); 18 nM (MDV-R)
BRD4
  • Ki:1.6 nM BD2
  • IC50:27.5
BRD3
  • Ki:4.9 nM BD2
  • IC50:11 nM (LNCaP); 9 nM (MDA-PCa-2B); 18 nM (MDV-R)
BRDT
  • Ki:1 nM
  • IC50:11 nM (LNCaP); 9 nM (MDA-PCa-2B); 18 nM (MDV-R)
Inhibitor
up to 100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
ABBV-744 potently inhibited the BD2 domain of BET family proteins with more than 290 fold selectivit ...
Selectivity Assessment Description:
ABBV-744 lacked significant activity against 75 kinases and 22 bromodomain-containing proteins that ...
In Cell Selectivity Assessment

Potency: IC50 - BRD2 BD1 2449 nM, BRD4 BD1 2006 nM, BRDt BD1 1835 nM, BRD3 BD3 7501 nM

Potency Assay Off-Target:
nanoBRET and TR-FRET

Potency
Cellular
In Vitro

BRD2

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c00628

BRD4

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c00628

BRD3

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c00628

BRDT

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.0c00628

In Vivo Validations

Mouse
Dose: 1 mg/kg
Route of delivery: Oral
Plasma half life: 2.8 h

DOI Reference: 10.1021/acs.jmedchem.0c00628

Orthogonal Probes def

GSK973
GSK620
GSK046

Chemical Information

Molecular Formula C28H30FN3O4
SMILEs CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
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)
Molecular weight 491.22 Da
AlogP 5.05894
HBond acceptors 7
HBond donors 3
Atoms 66

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

by SERP
(on 19 May 2020)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
by SERP
(on 4 Jun 2020)
Cellular Use Rating
In Model Organisms
ABBV-744 is an excellent chemical probe for studies on the second bromodomain (BD2) of BET bromodomain proteins. The inhibitor is based on the panBET bromodomain inhibitor ABBV-075 (mivebresib) which...
by SERP
(on 27 Oct 2020)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
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