General
Preferred name
I-CBP112
Synonyms
I-CBP 112 ()
GTPL8236 ()
I-CBP112 hydrochloride ()
I-CBP112 (hydrochloride) ()
P&D ID
PD000009
CAS
1640282-31-0
2147701-33-3
Tags
available
probe
drug candidate
Drug indication
Discovery agent
Probe info
Probe type
calculated probe
experimental probe
Probe sources
Bromodomains chemical toolbox
Chemical Probes.org
High-quality chemical probes
SGC Probes
Tool Compound Set
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
8
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)
PRICE
473
COMMENT
Bromodomain probe with selectivity for CBP/p300 outside of the BET family. This probe is able to displace p300 and CBP from acetylated proteins at low micromolar concentrations. Use at concentrations 1,000 - 5,000 nM appropriate in cellular assays. At concentrations higher than this range, 'off targeting' of BRD4 may be observed. Apr 5 2017 - 4:27pm; I-CBP112 is a ligand of the highly conserved bromodomain of both CBP and p300. In vitro, the probe displays selective binding to CBP/p300 bromodomains with a Kd ~600 nM. Comparatively, the Kd for the bromodomains of BRD4 are ~5 and ~20 micromolar, so some off-target effects may be observed at higher concentrations in cells. Notably, I-CBP112 does not seem to displace CBP/p300 from acetylated chromatin, so cellular effects may be through as-of-yet undetermined mechanisms, perhaps through allosteric modulation (PMID:27332697). No pharmacokinetic data in animals has been published for this probe at this time, so its utility in model organisms remains to determined. Apr 7 2017 - 1:51pm
DESCRIPTION
I-CBP112 is an inhibitor of the bromodomain-containing proteins CREB binding protein (CREBBP) and E1A binding protein p300 (EP300) and was developed by the Structural Genomics Consortium (SGC) . The bromodomains facilitate binding of these proteins to acetylated lysine residues on histones and other proteins , interactions which underlie the function of these two transctiptional co-activators in the control of DNA replication and repair, cell growth, transformation, and development .
Click here to link to the SGC's full list of epigenetics probes. (GtoPdb)
Click here to link to the SGC's full list of epigenetics probes. (GtoPdb)
DESCRIPTION
I-CBP112 is a specific and potent acetyl-lysine competitive protein-protein interaction inhibitor, that inhibits the CBP/p300 bromodomains, enhances acetylation by p300.
PRICE
163
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
I-CBP112 is a selective inhibitor of CBP and EP300 bromodomain (Kds = 0.142 and 0.625 μM, respectively). CBP and EP300 are histone acetyltransferase (HAT) enzymes that serve as transcriptional coactivators and have been found to be dysregulated in cancer and other diseases.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
I-CBP112 is a selective inhibitor of the bromodomain-containing transcription factors. I-CBP112 (1 mM) has little activity against other bromodomains. I-CBP112 targets the CBP/p300 bromodomains. I-CBP112 significantly reduced the leukemia-initiating potential of MLL-AF9(+) acute myeloid leukemia cells in a dose-dependent manner in vitro and in vivo. Interestingly, I-CBP112 increased the cytotoxic activity of BET bromodomain inhibitor JQ1 as well as doxorubicin.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Selective CBP/p300 BRD inhibitor
(Tocriscreen Plus)
DESCRIPTION
Selective BRD4(1) inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
I-CBP112 is a specific and potent acetyl-lysine competitive protein-protein interaction inhibitor targeting the CBP/p300 bromodomains.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
23
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Bromodomains chemical toolbox
Chemical Probes.org
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
EUbOPEN Chemogenomics Library
Guide to Pharmacology
High-quality chemical probes
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
SGC Probes
Tocris Bioactive Compound Library
Tocriscreen Plus
Tool Compound Set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
468.26
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
2
cLogP
4.22
TPSA
60.47
Fraction CSP3
0.52
Chiral centers
1.0
Largest ring
7.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Cell Biology
Target
CREB-binding protein
Histone acetyltransferase p300
CBP/p300( Leukemia cell)
Epigenetic Reader Domain
Histone Acetyltransferase
CBP/p300, Leukemia cell
CBP/p300, Prostate cancer cell
CREBBP, EP300
CREBBP
EP300
EP300, CREBBP
Primary Target
Bromodomains
MOA
Inhibitor
CREBBP / CBP / KAT3A
N-Ac Lysine competitive CREBBP inhibitor
Bromodomain inhibitor
Member status
member
Target subclass
Bromodomain
Bromodomain, Bromodomain
Target class
Epigenetics
Epigenetic, Epigenetic
Pathway
Chromatin/Epigenetic
Recommended Cell Concentration
1 uM
Source data
