Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMQX3W6)

• Drug Name: I-CBP112 Drug Info
• Synonyms: 1640282-31-0; I-CBP 112; CHEMBL3774655; 1-[7-(3,4-Dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]propan-1-one; 1-[7-(3,4-dimethoxyphenyl)-9-{[(3S)-1-methylpiperidin-3-yl]methoxy}-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]propan-1-one; GTPL8236; SCHEMBL17620385; MolPort-035-765-871; EX-A2474; ZINC96024493; BDBM50151663; AKOS024458402; CS-6146; NCGC00350526-04; HY-19541; I-CBP112, &gt

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 90488984
  TTD Drug ID: DMQX3W6

Molecule-Related Drug Atlas

Drug(s) Targeting CREB-binding protein (CREBBP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
C 82	DMEWXFK	Scleroderma	4A42	Phase 1/2	[4]
CCS1477	DM9UZM1	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[5]
PRI-724	DM0HTEF	Acute myeloid leukaemia	2A60	Phase 1/2	[6]
FT-7051	DMCK3OI	Prostate cancer	2C82.0	Phase 1	[7]
Pyrrolo-pyrrolone derivative 6	DMBW208	N. A.	N. A.	Patented	[8]
SGC-CBP30	DMTLRGZ	Discovery agent	N.A.	Investigative	[9]
ischemin	DMM2I9G	Discovery agent	N.A.	Investigative	[10]

Drug(s) Targeting Histone acetyltransferase KAT6B (KAT6B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
garcinol	DM6B9ZG	Discovery agent	N.A.	Investigative	[11]
SGC-CBP30	DMTLRGZ	Discovery agent	N.A.	Investigative	[9]
anacardic acid	DMAS5BI	Discovery agent	N.A.	Investigative	[12]
C646	DMCOQKH	Discovery agent	N.A.	Investigative	[13]
MG149	DM7V58G	Discovery agent	N.A.	Investigative	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CREB-binding protein (CREBBP)	TTFRCTK	CBP_HUMAN	Inhibitor	[2]
Histone acetyltransferase KAT6B (KAT6B)	TTH4VJL	KAT6B_HUMAN	Inhibitor	[3]

References

• [1] CBP and p300: HATs for different occasions. Biochem Pharmacol. 2004 Sep 15;68(6):1145-55.
• [2] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2734).
• [3] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2735).
• [4] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [5] Targeting the p300/CBP Axis in Lethal Prostate Cancer. Cancer Discov. 2021 May;11(5):1118-1137.
• [6] Inhibition of Wnt/beta-catenin/CREB binding protein (CBP) signaling reverses pulmonary fibrosis. Proc Natl Acad Sci U S A. 2010 Aug 10;107(32):14309-14.
• [7] Clinical pipeline report, company report or official report of FORMA Therapeutics.
• [8] BET inhibitors in cancer therapeutics: a patent review.Expert Opin Ther Pat. 2016;26(4):505-22.
• [9] Bromodomains and their pharmacological inhibitors. ChemMedChem. 2014 Mar;9(3):438-64.
• [10] A small molecule binding to the coactivator CREB-binding protein blocks apoptosis in cardiomyocytes. Chem Biol. 2011 Apr 22;18(4):531-41.
• [11] Polyisoprenylated benzophenone, garcinol, a natural histone acetyltransferase inhibitor, represses chromatin transcription and alters global gene e... J Biol Chem. 2004 Aug 6;279(32):33716-26.
• [12] Small molecule modulators of histone acetyltransferase p300. J Biol Chem. 2003 May 23;278(21):19134-40.
• [13] Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor. Chem Biol. 2010 May 28;17(5):471-82.
• [14] 6-alkylsalicylates are selective Tip60 inhibitors and target the acetyl-CoA binding site. Eur J Med Chem. 2012 Jan;47(1):337-44.