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

General Information of Drug (ID: DM7YRFE)

• Drug Name: BB-3644 Drug Info
• Synonyms: SCHEMBL609641

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Terminated	[1]

• Therapeutic Class: Anticancer Agents
• Cross-matching ID:
  PubChem CID: 9822724
  CAS Number: CAS 226072-63-5
  TTD Drug ID: DM7YRFE

Molecule-Related Drug Atlas

Drug(s) Targeting Matrix metalloproteinase-1 (MMP-1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Prinomastat	DM9HOKG	Lung cancer	2C25.0	Approved	[3]
Marimastat	DM6V34C	Pancreatic cancer	2C10	Phase 3	[4]
CIPEMASTAT	DM803GL	Rheumatoid arthritis	FA20	Phase 3	[5]
Apratastat	DM8W4N9	Rheumatoid arthritis	FA20	Phase 2	[6]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure10(2a)	DMFWXPS	N. A.	N. A.	Patented	[7]
BMS 275291	DMKSFPE	Kaposi sarcoma	2B57	Discontinued in Phase 3	[8]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[9]
RS-130830	DMOTANY	Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[10]
XL784	DMICR39	Diabetic nephropathy	GB61.Z	Discontinued in Phase 2	[11]

Drug(s) Targeting Matrix metalloproteinase-2 (MMP-2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Prinomastat	DM9HOKG	Lung cancer	2C25.0	Approved	[3]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[12]
Marimastat	DM6V34C	Pancreatic cancer	2C10	Phase 3	[4]
Neovastat	DMXTYWJ	Non-small-cell lung cancer	2C25.Y	Phase 1	[13]
Metastat	DMTQ4PN	Acne vulgaris	ED80	Phase 1	[14]
PMID29130358-Compound-Figure18(14a)	DMHIBTZ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure10(2a)	DMFWXPS	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure16(9b)	DMPAQLZ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-SB-3CT	DMC64XQ	N. A.	N. A.	Patented	[7]
PMID29130358-Compound-Figure16(9a)	DMKX5R8	N. A.	N. A.	Patented	[7]

Drug(s) Targeting Matrix metalloproteinase-7 (MMP-7)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Prinomastat	DM9HOKG	Lung cancer	2C25.0	Approved	[3]
Marimastat	DM6V34C	Pancreatic cancer	2C10	Phase 3	[4]
BMS 275291	DMKSFPE	Kaposi sarcoma	2B57	Discontinued in Phase 3	[8]
SC-44463	DMBPNKT	N. A.	N. A.	Terminated	[15]
MMI270	DM38N2K	Discovery agent	N.A.	Investigative	[16]
IK-862	DMJA4UE	Discovery agent	N.A.	Investigative	[17]
SR-973	DMU48OD	Discovery agent	N.A.	Investigative	[18]
SL422	DM3I2US	Discovery agent	N.A.	Investigative	[19]
3-Benzenesulfonyl-heptanoic acid hydroxyamide	DM7XDCF	Discovery agent	N.A.	Investigative	[20]
3-Cyclohexanesulfonyl-heptanoic acid hydroxyamide	DMJSOTE	Discovery agent	N.A.	Investigative	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-1 (MMP-1)	TTMX39J	MMP1_HUMAN	Inhibitor	[2]
Matrix metalloproteinase-2 (MMP-2)	TTLM12X	MMP2_HUMAN	Inhibitor	[2]
Matrix metalloproteinase-7 (MMP-7)	TTMTWOS	MMP7_HUMAN	Inhibitor	[2]

References

• [1] A phase I and pharmacological study of the matrix metalloproteinase inhibitor BB-3644 in patients with solid tumours. Br J Cancer. 2004 Feb 23;90(4):800-4.
• [2] Tumour microenvironment - opinion: validating matrix metalloproteinases as drug targets and anti-targets for cancer therapy. Nat Rev Cancer. 2006 Mar;6(3):227-39.
• [3] AG-3340 (Agouron Pharmaceuticals Inc). IDrugs. 2000 Mar;3(3):336-45.
• [4] Metalloelastase (MMP-12) induced inflammatory response in mice airways: effects of dexamethasone, rolipram and marimastat. Eur J Pharmacol. 2007 Mar 15;559(1):75-81.
• [5] Matrix metalloproteinase inhibition lowers mortality and brain injury in experimental pneumococcal meningitis. Infect Immun. 2014 Apr;82(4):1710-8.
• [6] Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1605-9.
• [7] Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
• [8] Phase 1/2 trial of BMS-275291 in patients with human immunodeficiency virus-related Kaposi sarcoma: a multicenter trial of the AIDS Malignancy Consortium. Cancer. 2008 Mar 1;112(5):1083-8.
• [9] Introduction of the 4-(4-bromophenyl)benzenesulfonyl group to hydrazide analogs of Ilomastat leads to potent gelatinase B (MMP-9) inhibitors with i... Bioorg Med Chem. 2008 Sep 15;16(18):8745-59.
• [10] Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13). Bioorg Med Chem Lett. 2005 Feb 15;15(4):1101-6.
• [11] Agents in development for the treatment of diabetic nephropathy. Expert Opin Emerg Drugs. 2008 Sep;13(3):447-63.
• [12] Regioselective synthesis of methylated epigallocatechin gallate via nitrobenzenesulfonyl (Ns) protecting group. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4171-4.
• [13] Neovastat, a naturally occurring multifunctional antiangiogenic drug, in phase III clinical trials. Semin Oncol. 2001 Dec;28(6):620-5.
• [14] Strategies for MMP inhibition in cancer: innovations for the post-trial era. Nat Rev Cancer. 2002 Sep;2(9):657-72.
• [15] A potent, selective inhibitor of matrix metalloproteinase-3 for the topical treatment of chronic dermal ulcers. J Med Chem. 2003 Jul 31;46(16):3514-25.
• [16] Methotrexate gamma-hydroxamate derivatives as potential dual target antitumor drugs. Bioorg Med Chem. 2007 Feb 1;15(3):1266-74.
• [17] Discovery of gamma-lactam hydroxamic acids as selective inhibitors of tumor necrosis factor alpha converting enzyme: design, synthesis, and structu... J Med Chem. 2002 Nov 7;45(23):4954-7.
• [18] Synthesis and evaluation of succinoyl-caprolactam gamma-secretase inhibitors. Bioorg Med Chem Lett. 2006 May 1;16(9):2357-63.
• [19] Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem. 2001 Aug 2;44(16):2636-60.
• [20] Hydroxamic acid derivatives as potent peptide deformylase inhibitors and antibacterial agents. J Med Chem. 2000 Jun 15;43(12):2324-31.