ILACIRNON SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H12ClF3N5O3S.Na
Molecular Weight	517.844
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC1=CC([N-]S(=O)(=O)C2=CC=C(Cl)C(=C2)C(F)(F)F)=C(N=C1)C(=O)C3=C4C=CNC4=NC=N3

InChI

InChIKey=GJTHOZVZZCTXOH-UHFFFAOYSA-M

InChI=1S/C20H13ClF3N5O3S.Na/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16;/h2-9H,1H3,(H2,25,27,28,29,30);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula	C20H12ClF3N5O3S
Molecular Weight	494.854
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
C-C chemokine receptor type 2 17 Target ID: CHEMBL4015 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23986513	Antagonist 2778		2.3 nM [Kd]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:10:48 UTC 2023` Edited by `admin` on `Sat Dec 16 08:10:48 UTC 2023`
Record UNII	X39CM70JTQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ILACIRNON SODIUM

Official Name

English

ILACIRNON SODIUM [USAN]

Common Name

English

BENZENESULFONAMIDE, 4-CHLORO-N-(5-METHYL-2-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLCARBONYL)-3-PYRIDINYL)-3-(TRIFLUOROMETHYL)-, SODIUM SALT (1:1)

Common Name

English

CCX-140 SODIUM

Code

English

4-CHLORO-N-(5-METHYL-2-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLCARBONYL)-3-PYRIDINYL)-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, SODIUM SALT

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

604317