Details of the Drug

General Information of Drug (ID: DMB813H)

• Drug Name: GE-137
• Synonyms: GE-137

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 5:
  Molecular Weight (mw); 3652
  Topological Polar Surface Area (xlogp); -5.2
  Rotatable Bond Count (rotbonds); 79
  Hydrogen Bond Donor Count (hbonddonor); 42
  Hydrogen Bond Acceptor Count (hbondacc); 58
• Chemical Identifiers:
  Formula: C156H212N34O52S8
  IUPAC Name: 2-[(1E,3E,5Z)-5-[1-[6-[[(5S)-5-[[2-[[2-[[2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(1R,4S,13S,19S,22S,25S,28S,31R,34S,37R,42R,45S)-42-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-25-benzyl-22-(3-carbamimidamidopropyl)-28-(2-carboxyethyl)-4-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-34-(1H-indol-3-ylmethyl)-2,5,8,14,20,23,26,29,32,35,43,46-dodecaoxo-39,40,49,50-tetrathia-3,6,9,15,21,24,27,30,33,36,44,47-dodecazatetracyclo[29.16.4.09,13.015,19]henpentacontane-37-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3-methyl-1,3-bis(4-sulfobutyl)indol-1-ium-5-sulfonate
  Canonical SMILES: C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCCCN\\1C2=C(C=C(C=C2)S(=O)(=O)O)C(/C1=C/C=C/C=C/C3=[N+](C4=C(C3(C)CCCCS(=O)(=O)O)C=C(C=C4)S(=O)(=O)[O-])CCCCS(=O)(=O)O)(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@@H]6CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]7CSSC[C@@H](C(=O)N[C@H](C(=O)N6)CC8=CNC9=CC=CC=C98)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC7=O)CO)CCCNC(=N)N)CC1=CC=CC=C1)CCC(=O)O)CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)C)O
  InChI: InChI=1S/C156H212N34O52S8/c1-85(169-88(4)195)135(212)165-76-126(202)171-111(80-192)145(222)184-114-83-245-244-82-113(183-144(221)109(69-92-72-162-100-31-17-16-30-97(92)100)179-148(225)112-81-243-246-84-115(182-143(220)108(178-147(114)224)68-91-41-45-94(197)46-42-91)149(226)180-110(79-191)137(214)168-78-128(204)189-62-27-35-119(189)153(230)190-63-26-34-118(190)150(227)174-102(33-25-59-161-154(158)159)138(215)176-106(66-89-28-11-8-12-29-89)141(218)172-104(139(216)181-112)50-55-130(207)208)146(223)177-107(67-90-39-43-93(196)44-40-90)142(219)173-105(51-56-131(209)210)140(217)186-133(87(3)194)152(229)175-103(49-54-129(205)206)136(213)166-77-127(203)185-132(86(2)193)151(228)167-74-124(200)163-73-123(199)164-75-125(201)170-101(134(157)211)32-18-20-58-160-122(198)38-15-10-21-60-187-116-52-47-95(249(237,238)239)70-98(116)155(5,6)120(187)36-13-9-14-37-121-156(7,57-19-23-64-247(231,232)233)99-71-96(250(240,241)242)48-53-117(99)188(121)61-22-24-65-248(234,235)236/h8-9,11-14,16-17,28-31,36-37,39-48,52-53,70-72,85-87,101-115,118-119,132-133,162,191-194H,10,15,18-27,32-35,38,49-51,54-69,73-84H2,1-7H3,(H39-,157,158,159,160,161,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,195,196,197,198,199,200,201,202,203,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,231,232,233,234,235,236,237,238,239,240,241,242)/t85-,86+,87+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,118-,119-,132-,133-,156?/m0/s1
  InChIKey: UQYUYHHXESUXGH-ABPLELQPSA-N
• Cross-matching ID:
  PubChem CID: 91827375
  TTD ID: D0PS7U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proto-oncogene c-Met (MET)	TTNDSF4	MET_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Proto-oncogene c-Met (MET)	DTT	MET	1.08E-03	-0.24	-0.4

References

• [1] 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. (Ligand id: 8585).
• [2] Detection of colorectal polyps in humans using an intravenously administered fluorescent peptide targeted against c-Met. Nat Med. 2015 Aug;21(8):955-61.
• [3] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [4] Clinical pipeline report, company report or official report of Exelixis (2011).
• [5] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
• [7] Antitumor Activity of Amivantamab (JNJ-61186372), an EGFR-MET Bispecific Antibody, in Diverse Models of EGFR Exon 20 Insertion-Driven NSCLC. Cancer Discov. 2020 Aug;10(8):1194-1209.
• [8] 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: 1815).
• [9] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [10] Beperminogene perplasmid for the treatment of critical limb ischemia. Expert Rev Cardiovasc Ther. 2014 Oct;12(10):1145-56.
• [11] 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. (Ligand id: 7948).