LENRISPODUN PHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H26FN7O.H3O4P
Molecular Weight	605.5566
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.[H][C@@]12CCC[C@]1([H])N3C(=N2)N(C)C(=O)C4=C(NC5=CC=CC=C5)N(CC6=CC=C(C=C6)C7=NC(F)=CC=C7)N=C34

InChI

InChIKey=ZPIAAFIYOPWWJL-RFPXDPOKSA-N

InChI=1S/C29H26FN7O.H3O4P/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21;1-5(2,3)4/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3;(H3,1,2,3,4)/t22-,23+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	H3O4P
Molecular Weight	97.9952
Charge	0
Count

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

Molecular Formula	C29H26FN7O
Molecular Weight	507.5614
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
Phosphodiesterase 1A 2 Target ID: CHEMBL3421 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643	Inhibitor 8297	3.4E-5 µM [Ki]
Phosphodiesterase 1B 2 Target ID: CHEMBL4425 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643	Inhibitor 8297	3.8E-4 µM [Ki]
Phosphodiesterase 1C 2 Target ID: CHEMBL4619 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643	Inhibitor 8297	3.7E-5 µM [Ki]
Phosphodiesterase 3B 8 Target ID: CHEMBL290 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643	Inhibitor 8297	3.1 µM [Ki]
Phosphodiesterase 4D 14 Target ID: CHEMBL288 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27342643	Inhibitor 8297	0.033 µM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:19:18 GMT 2023` Edited by `admin` on `Sat Dec 16 11:19:18 GMT 2023`
Record UNII	YP683YZB8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LENRISPODUN PHOSPHATE

Official Name

English

LENRISPODUN PHOSPHATE [USAN]

Common Name

English

CYCLOPENT(4,5)IMIDAZO(1,2-A)PYRAZOLO(4,3-E)PYRIMIDIN-4(2H)-ONE, 2-((4-(6-FLUORO-2-PYRIDINYL)PHENYL)METHYL)-5,6A,7,8,9,9A-HEXAHYDRO-5-METHYL-3-(PHENYLAMINO)-, (6AR,9AS)-, PHOSPHATE (1:1)

Systematic Name

English

(6AR,9AS)-2-(4-(6-FLUOROPYRIDIN-2-YL)BENZYL)-5-METHYL-3-ANILINO-5,6A,7,8,9,9AHEXAHYDRO- CYCLOPENT(4,5)IMIDAZO(1,2-A)PYRAZOLO(4,3-E)PYRIMIDIN-4(2H)-ONE PHOSPHATE (1:1)

Systematic Name

English

ITI-214 PHOSPHATE

Code

English

Code System Code Type Description

SMS_ID

300000028911