Details of the Drug

General Information of Drug (ID: DM3I71U)

Drug Name

MKT-077

Synonyms

FJ-776 (formerly); SDZ-MKT-077; 1-Ethyl-2-[3-ethyl-5-(3-methyl-2,3-dihydrobenzothiazolin-2-ylidene)-4-oxothiazolidin-2-ylidenemethyl]pyridinium chloride

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

432

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C21H22ClN3OS2
IUPAC Name: (2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;chloride
Canonical SMILES: CCN1/C(=C/C2=CC=CC=[N+]2CC)/S/C(=C/3\\N(C4=CC=CC=C4S3)C)/C1=O.[Cl-]
InChI: InChI=1S/C21H22N3OS2.ClH/c1-4-23-13-9-8-10-15(23)14-18-24(5-2)20(25)19(27-18)21-22(3)16-11-6-7-12-17(16)26-21;/h6-14H,4-5H2,1-3H3;1H/q+1;/p-1/b21-19+;
InChIKey: VSKYOTRJSLYFHX-UXJRWBAGSA-M

Cross-matching ID

PubChem CID: 6444403
CAS Number: 147366-41-4
TTD ID: D0X9HB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mortalin (HSPA9)	TTMTPG3	GRP75_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Selective toxicity of MKT-077 to cancer cells is mediated by its binding to the hsp70 family protein mot-2 and reactivation of p53 function. Cancer Res. 2000 Dec 15;60(24):6818-21.