GDC-0339

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22F3N7OS
Molecular Weight	465.495
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=CC(NC(=O)C2=C(N)SC(=N2)C3=C(F)C=CC=C3F)=C1N4CC[C@@H](N)[C@H](F)CC4

InChI

InChIKey=NHXVGMQFCYBLTL-ZWNOBZJWSA-N

InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H22F3N7OS
Molecular Weight	465.495
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serine/threonine-protein kinase PIM1 13 Target ID: CHEMBL2147 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30715878	Inhibitor 8297	0.03 nM [IC50]
Serine/threonine-protein kinase PIM2 3 Target ID: CHEMBL4523 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30715878	Inhibitor 8297	0.1 nM [IC50]
Serine/threonine-protein kinase PIM3 9 Target ID: CHEMBL5407 Sources: https://www.ncbi.nlm.nih.gov/pubmed/30715878	Inhibitor 8297	0.02 nM [IC50]

PubMed

Title	Date	PubMed
CYP1A1-Mediated Intramolecular Rearrangement of Aminoazepane in GDC-0339.	2017 Oct	28790146
Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma.	2019 Feb 28	30715878

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:28:29 UTC 2023` Edited by `admin` on `Sat Dec 16 14:28:29 UTC 2023`
Record UNII	2PRJ7DX38T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GDC-0339

Code

English

GDC0339

Code

English

5-AMINO-N-(5-((4R,5R)-4-AMINO-5-FLUOROAZEPAN-1-YL)-1-METHYL-1H-PYRAZOL-4-YL)-2-(2,6-DIFLUOROPHENYL)THIAZOLE-4-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

CAS

1428569-85-0

Created by admin on Sat Dec 16 14:28:30 UTC 2023 , Edited by admin on Sat Dec 16 14:28:30 UTC 2023

PRIMARY

PUBCHEM

73603034

Created by admin on Sat Dec 16 14:28:30 UTC 2023 , Edited by admin on Sat Dec 16 14:28:30 UTC 2023

PRIMARY

FDA UNII

2PRJ7DX38T

Created by admin on Sat Dec 16 14:28:30 UTC 2023 , Edited by admin on Sat Dec 16 14:28:30 UTC 2023

PRIMARY

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Qualification:

IC50

Amount:


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