DF-003

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H15BrN5O6PS
Molecular Weight	540.284
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[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=DBYADRPTMRXVDJ-QBCQWNFYSA-N

InChI=1S/C18H15BrN5O6PS/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)/t10-,12-,13-,16-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H15BrN5O6PS
Molecular Weight	540.284
Charge	0
Count

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

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 14:00:28 GMT 2023` Edited by `admin` on `Sat Dec 16 14:00:28 GMT 2023`
Record UNII	O874Z20U79
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DF-003

Common Name

English

LP-DF003

Code

English

2-BROMO-3,4-DIHYDRO-3-(3,5-O-((R)-MERCAPTOPHOSPHINYLIDENE)-.BETA.-D-RIBOFURANOSYL)-6-PHENYL-9H-IMIDAZO(1,2-A)PURIN-9-ONE

Systematic Name

English

9H-IMIDAZO(1,2-A)PURIN-9-ONE, 2-BROMO-3,4-DIHYDRO-3-(3,5-O-((R)-MERCAPTOPHOSPHINYLIDENE)-.BETA.-D-RIBOFURANOSYL)-6-PHENYL-

Common Name

English

RP 8BR-PET-CGMPS

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70660599

Created by admin on Sat Dec 16 14:00:29 GMT 2023 , Edited by admin on Sat Dec 16 14:00:29 GMT 2023

PRIMARY

SMS_ID

300000013150

Created by admin on Sat Dec 16 14:00:29 GMT 2023 , Edited by admin on Sat Dec 16 14:00:29 GMT 2023

PRIMARY

FDA UNII

O874Z20U79

Created by admin on Sat Dec 16 14:00:29 GMT 2023 , Edited by admin on Sat Dec 16 14:00:29 GMT 2023

PRIMARY

CAS

172806-20-1

Created by admin on Sat Dec 16 14:00:29 GMT 2023 , Edited by admin on Sat Dec 16 14:00:29 GMT 2023

PRIMARY

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					O874Z20U79

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ACTIVE MOIETY