OTS-167 MONOHYDROCHLORIDE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H28Cl2N4O2.ClH
Molecular Weight	523.882
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN(C)C[C@H]1CC[C@@H](CC1)NC2=C(C=NC3=C2N=C(C=C3)C4=CC(Cl)=C(O)C(Cl)=C4)C(C)=O

InChI

InChIKey=XDGWHISAOWEFML-BFLZMHAMSA-N

InChI=1S/C25H28Cl2N4O2.ClH/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3;/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29);1H/t15-,17-;

HIDE SMILES / InChI

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

Molecular Formula	C25H28Cl2N4O2
Molecular Weight	487.421
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27082996

OTS-167 is a maternal embryonic leucine zipper kinase (MELK) inhibitor which demonstrated antitumor properties in laboratory tests. It is being developed as an anti-cancer drug. The compound has been shown to suppress the growth of breast, lung, pancreatic and prostate cancer cells that express high levels of the MELK protein. OTS167 reached phase II clinical trials in patients with AML, ALL, advanced MDSs, advanced MPNs, or advanced CML and phase I in patients with breast cancer.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Maternal embryonic leucine zipper kinase 4 Target ID: Q14680\|\|\|B7Z6Y0 Gene ID: 9833.0 Gene Symbol: MELK Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24657156	Inhibitor 8297		0.41 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Acute myeloid leukemia 136 Sources: https://clinicaltrials.gov/ct2/show/NCT02795520	Primary	Phase II 1132	Unknown Approved Use Unknown
Metastatic solid tumors 4 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24795222	Primary	Phase I 428	Unknown Approved Use Unknown
Breast cancer 434 Sources: https://clinicaltrials.gov/ct2/show/NCT02926690	Primary	Phase I 428	Unknown Approved Use Unknown
Acute lymphoblastic leukemia 27 Sources: https://www.clinicaltrials.gov/ct2/show/NCT02795520	Primary	Phase II 1132	Unknown Approved Use Unknown
Myelodysplastic syndromes 58 Sources: https://www.clinicaltrials.gov/ct2/show/NCT02795520	Primary	Phase II 1132	Unknown Approved Use Unknown
Myeloproliferative neoplastic disorders 2 Sources: https://www.clinicaltrials.gov/ct2/show/NCT02795520	Primary	Phase II 1132	Unknown Approved Use Unknown
Chronic myelogenous leukemia 22 Sources: https://www.clinicaltrials.gov/ct2/show/NCT02795520	Primary	Phase II 1132	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
Molnova	M11835	https://www.molnova.com/en/serch-list.html?keywords=M11835
eMolecules	195179080	https://orderbb.emolecules.com/search/#?query=195179080
eMolecules	275159368	https://orderbb.emolecules.com/search/#?query=275159368
eMolecules	300756500	https://orderbb.emolecules.com/search/#?query=300756500

PubMed

Title	Date	PubMed
Glucuronidation of OTS167 in Humans Is Catalyzed by UDP-Glucuronosyltransferases UGT1A1, UGT1A3, UGT1A8, and UGT1A10.	2015 Jul	25870101
OTSSP167 Abrogates Mitotic Checkpoint through Inhibiting Multiple Mitotic Kinases.	2016	27082996
Evaluation of human microtubule affinity-regulating kinase 4 inhibitors: fluorescence binding studies, enzyme, and cell assays.	2017 Nov	27748164

Patents

Sample Use Guides

In Vivo Use Guide

In phase I clinical trial on healthy participants OST-167 was given at doses 0.5 mg, 1.0 mg, and 2.0 mg .

Route of Administration: Oral

In Vitro Use Guide

HeLaM or MCF7 cell lines were treated with 100nM OTS-167 for 2 hours to test the effect of the drug on mitosis.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:18:12 UTC 2023` Edited by `admin` on `Sat Dec 16 11:18:12 UTC 2023`
Record UNII	65P731R507
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OTS-167 MONOHYDROCHLORIDE

Common Name

English

ETHANONE, 1-(6-(3,5-DICHLORO-4-HYDROXYPHENYL)-4-((TRANS-4-((DIMETHYLAMINO)METHYL)CYCLOHEXYL)AMINO)-1,5-NAPHTHYRIDIN-3-YL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

71576671

Created by admin on Sat Dec 16 11:18:12 UTC 2023 , Edited by admin on Sat Dec 16 11:18:12 UTC 2023

PRIMARY

FDA UNII

65P731R507

Created by admin on Sat Dec 16 11:18:12 UTC 2023 , Edited by admin on Sat Dec 16 11:18:12 UTC 2023

PRIMARY

MANUFACTURER PRODUCT INFORMATION

OTS-167 MONOHYDROCHLORIDE

Created by admin on Sat Dec 16 11:18:12 UTC 2023 , Edited by admin on Sat Dec 16 11:18:12 UTC 2023

PRIMARY

CAS

1431698-10-0

Created by admin on Sat Dec 16 11:18:12 UTC 2023 , Edited by admin on Sat Dec 16 11:18:12 UTC 2023

PRIMARY

Related Record Type Details


					VY778IXU5T

OTS-167

PARENT -> SALT/SOLVATE

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/27082996

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27082996