MKT-077

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22N3OS2.Cl
Molecular Weight	432.002
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0
Stereo Comments	Assumed E, Z isomer

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].CCN1C(=O)\C(S\C1=C/C2=CC=CC=[N+]2CC)=C3/SC4=CC=CC=C4N3C

InChI

InChIKey=VSKYOTRJSLYFHX-UXJRWBAGSA-M

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+;

HIDE SMILES / InChI

Molecular Formula	C21H22N3OS2
Molecular Weight	396.549
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE
StereoComments	ASSUMED E.Z DUE TO STERIC HINDRANCE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
CHEMBL3885585 (Heat shock 70 kDa protein 1A/1B) 2 Target ID: CHEMBL3885585 (Heat shock 70 kDa protein 1A/1B) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24312699	Inhibitor 8504

PubMed

Title	Date	PubMed
Selective Mitochondrial Uptake of MKT-077 Can Suppress Medullary Thyroid Carcinoma Cell Survival In Vitro and In Vivo.	2015-12	26485469
Analogs of the Allosteric Heat Shock Protein 70 (Hsp70) Inhibitor, MKT-077, as Anti-Cancer Agents.	2013-11-14	24312699
MKT-077, a novel rhodacyanine dye in clinical trials, exhibits anticarcinoma activity in preclinical studies based on selective mitochondrial accumulation.	1996-02-01	8564968

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:26:27 GMT 2025` Edited by `admin` on `Mon Mar 31 21:26:27 GMT 2025`
Record UNII	8PF5ZXI0JE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FJ-776

Preferred Name

English

MKT-077

Code

English

SDZ-MKT-077

Code

English

MKT 077 [WHO-DD]

Common Name

English

SDZ MKT 077

Code

English

PYRIDINIUM, 1-ETHYL-2-((3-ETHYL-5-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-4-OXO-2-THIAZOLIDINYLIDENE)METHYL)-, CHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

3037933