Details of the Drug

General Information of Drug (ID: DME47TX)

Drug Name

RG7112

Synonyms

RO5045337; QBGKPEROWUKSBK-QPPIDDCLSA-N; 939981-39-2; UNII-Q8MI0X869M; Q8MI0X869M; RO-5045337; CHEMBL2386346; Ro 5045337; GTPL9599; SCHEMBL12704861; DTXSID60240182; MolPort-044-560-282; EX-A1686; s7030; ZINC96270381; BDBM50434287; AKOS027282701; CS-0330; HY-10959; RG7112 (RO5045337); [(4s,5r)-2-(4-t-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone; Methanone, [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]

Indication

Disease Entry	ICD 11	Status	REF
Haematological malignancy	2B33.Y	Phase 1	[1]
Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 1	[2]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C38H48Cl2N4O4S
Canonical SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=NC(C(N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)C4=CC=C(C=C4)Cl)(C)C5=CC=C(C=C5)Cl
InChI: 1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1
InChIKey: QBGKPEROWUKSBK-QPPIDDCLSA-N

Cross-matching ID

PubChem CID: 57406853
CAS Number: 939981-39-2
TTD ID: D08EOW

Combinatorial Drugs (CBD)

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Repurposed Drugs (RPD)

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References

1	ClinicalTrials.gov (NCT00559533) A Study of RO5045337 [RG7112] in Patients With Advanced Solid Tumors. U.S. National Institutes of Health.
2	Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50.