General
Preferred name
XD14
Synonyms
XD 14 ()
P&D ID
PD038452
CAS
1370888-71-3
Tags
available
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
XD14 is a potent BET inhibitor with antitumor effect. It binds to BRD2, BRD3, and BRD4 with Kds of 170, 380, and 160 nM, respectively[1].
PRICE
148
DESCRIPTION
BET bromodomain inhibitor
(Tocriscreen Plus)
DESCRIPTION
XD 14 is a BET bromodomain inhibitor (Kd = 160, 170, 380, 490, 830 and 850 nM for BRD4(1), BRD2(1), BRD3(1), BRD3(2), BRD2(2) and BRD4(2) respectively). XD 14 also inhibits BRDT(1), CBP, p300 and BRDT(2) (Kd = 1.2, 1.6, 2.6 and 3.7 μM, respectively). XD 14 inhibits proliferation of HL-60 leukemia cells in vitro.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
4-Acetyl-N-(5-(N,N-diethylsulfamoyl)-2-hydroxyphenyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has binding affinity to bromodomain-containing protein.
(Enamine Bioactive Compounds)
DESCRIPTION
XD14 is an inhibitor of BET bromodomain (Kd of 160 nM, 170 nM, 380 nM, 490 nM, 830 nM and 850 nM for BRD4(1), BRD2(1), BRD3(1), BRD3(2), BRD2(2) and BRD4(2), respectively).
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
10
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugMAP
Enamine Bioactive Compounds
Enamine BioReference Compounds
Guide to Pharmacology
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocriscreen Plus
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Molecular Weight
421.17
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
2
cLogP
3.08
TPSA
119.57
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Cell Biology
Target
BET bromodomain
BRD2, BRD3, BRD4, BRDT
Epigenetic Reader Domain
MOA
Bromodomain inhibitor
Pathway
Epigenetics
Chromatin/Epigenetic
Source data
