DF-003 SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H14BrN5O6PS.Na
Molecular Weight	562.266
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12CO[P@@]([O-])(=S)O[C@@]1([H])[C@@H](O)[C@@H](O2)N3C(Br)=NC4=C3N=C5NC(=CN5C4=O)C6=CC=CC=C6

InChI

InChIKey=SVMPQLHYWRTQCX-DBHVCDLJSA-M

InChI=1S/C18H15BrN5O6PS.Na/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8;/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32);/q;+1/p-1/t10-,12-,13-,16-,31-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H14BrN5O6PS
Molecular Weight	539.276
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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
cGMP-dependent protein kinase 1 beta 4 Target ID: CHEMBL4273 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8988020\|https://www.ncbi.nlm.nih.gov/pubmed/10797124\|https://www.ncbi.nlm.nih.gov/pubmed/10642443	Inhibitor 8297		30.0 nM [Ki]
cGMP-dependent protein kinase 2 Target ID: CHEMBL5036 Sources: http://appft1.uspto.gov/netacgi/nph-Parser?Sect1=PTO1&Sect2=HITOFF&d=PG01&p=1&u=/netahtml/PTO/srchnum.html&r=1&f=G&l=50&s1=%2720070184044%27.PGNR.&OS=DN/20070184044&RS=DN/20070184044	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:34:26 GMT 2023` Edited by `admin` on `Sat Dec 16 13:34:26 GMT 2023`
Record UNII	9QQM5R5DWL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DF-003 SODIUM

Common Name

English

LP-DF-003 SODIUM

Code

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/15/1462