FF-10101

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38N8O2
Molecular Weight	530.6644
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCNC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)\C=C\CN(C)C

InChI

InChIKey=HJFSVYUFOXAVAA-YUAYGMJFSA-N

InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H38N8O2
Molecular Weight	530.6644
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Tyrosine-protein kinase receptor FLT3 43 Target ID: CHEMBL1974 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29187377	Inhibitor 8297	0.2 nM [IC50]
Stem cell growth factor receptor 53 Target ID: CHEMBL1936 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29187377	Inhibitor 8297	2.0 nM [IC50]
Misshapen-like kinase 1 2 Target ID: CHEMBL5518 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29187377	Inhibitor 8297	6.8 nM [IC50]
Interleukin-1 receptor-associated kinase 1 4 Target ID: CHEMBL3357 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29187377	Inhibitor 8297	13.0 nM [IC50]
Tyrosine-protein kinase receptor FLT3 43 Target ID: CHEMBL1974 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22452518	Inhibitor 8297	10.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:54:27 GMT 2023` Edited by `admin` on `Sat Dec 16 11:54:27 GMT 2023`
Record UNII	7V7IHI0SYG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FF-10101

Code

English

2-BUTENAMIDE, N-((1S)-2-((5-(2-((4-CYANOPHENYL)AMINO)-4-(PROPYLAMINO)-5-PYRIMIDINYL)-4-PENTYN-1-YL)AMINO)-1-METHYL-2-OXOETHYL)-4-(DIMETHYLAMINO)-N-METHYL-, (2E)-

Systematic Name

English

(S,E)-N-(1-((5-(2-((4-CYANOPHENYL)AMINO)-4-(PROPYLAMINO)PYRIMIDIN-5-YL)PENT-4-YN-1-YL)AMINO)-1-OXOPROPAN-2-YL)-4-(DIMETHYLAMINO)-N-METHYLBUT-2-ENAMIDE

Systematic Name

English

FLT3-IN-1

Code

English

Code System Code Type Description

SMS_ID

300000022312

Created by admin on Sat Dec 16 11:54:27 GMT 2023 , Edited by admin on Sat Dec 16 11:54:27 GMT 2023

PRIMARY

CAS

1472797-69-5

Created by admin on Sat Dec 16 11:54:27 GMT 2023 , Edited by admin on Sat Dec 16 11:54:27 GMT 2023

PRIMARY

PUBCHEM

90052320

Created by admin on Sat Dec 16 11:54:27 GMT 2023 , Edited by admin on Sat Dec 16 11:54:27 GMT 2023

PRIMARY

FDA UNII

7V7IHI0SYG

Created by admin on Sat Dec 16 11:54:27 GMT 2023 , Edited by admin on Sat Dec 16 11:54:27 GMT 2023

PRIMARY

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FLT3-IN-1 SUCCINATE

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Amount:

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					7V7IHI0SYG

FF-10101

ACTIVE MOIETY