TEMUTERKIB MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H27N7O2S.CH4O3S
Molecular Weight	549.666
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CN1N=CC=C1NC2=NC(=CC=N2)C3=CC4=C(S3)C(C)(C)N(CCN5CCOCC5)C4=O

InChI

InChIKey=FAAFOFKUNKWPID-UHFFFAOYSA-N

InChI=1S/C22H27N7O2S.CH4O3S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3;1-5(2,3)4/h4-7,14H,8-13H2,1-3H3,(H,23,25,26);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C22H27N7O2S
Molecular Weight	453.56
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
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
Mitogen-activated protein kinase 3 2 Target ID: P27361 Gene ID: 5595.0 Gene Symbol: MAPK3 Target Organism: Homo sapiens (Human) Sources: doi:10.1158/1538-7445.AM2017-4973 retrieved from http://cancerres.aacrjournals.org/content/77/13_Supplement/4973	Inhibitor 8504		5.0 nM [IC50]
Mitogen-activated protein kinase 1 3 Target ID: P28482 Gene ID: 5594.0 Gene Symbol: MAPK1 Target Organism: Homo sapiens (Human) Sources: doi:10.1158/1538-7445.AM2017-4973 retrieved from http://cancerres.aacrjournals.org/content/77/13_Supplement/4973	Inhibitor 8504		5.0 nM [IC50]

F_unbound

Value	Dose	Analyte	Population
37.2% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36105156/	unknown, unknown	LY-3214996 plasma	Homo sapiens population: HEALTHY age: UNKNOWN sex: UNKNOWN food status: UNKNOWN
40.6% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36105156/	unknown, unknown	LY-3214996 plasma	Homo sapiens population: UNHEALTHY age: UNKNOWN sex: UNKNOWN food status: UNKNOWN
6.5% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/36105156/	unknown, unknown	LY-3214996 brain	Homo sapiens population: HEALTHY age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:15:12 GMT 2025` Edited by `admin` on `Wed Apr 02 12:15:12 GMT 2025`
Record UNII	34M62WSA87
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TEMUTERKIB MESYLATE

Official Name

English

LY-3214996 MESYLATE

Preferred Name

English

4H-THIENO(2,3-C)PYRROL-4-ONE, 5,6-DIHYDRO-6,6-DIMETHYL-2-(2-((1-METHYL-1H-PYRAZOL-5-YL)AMINO)-4-PYRIMIDINYL)-5-(2-(4-MORPHOLINYL)ETHYL)-, METHANESULFONATE (1:1)

Systematic Name

English

LY3518429

Code

English

LY-3518429

Code

English

TEMUTERKIB MESYLATE [USAN]

Common Name

English

Code System Code Type Description

USAN

HI-107