ML-154

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H26N2PS.Br
Molecular Weight	545.473
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].CC1=C(N2C=CC=CC2=[N+]1C\C=C\C3=CC=CC=C3)P(=S)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=CJAQCMBWGUOBIX-ZUQRMPMESA-M

InChI=1S/C29H26N2PS.BrH/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25;/h2-22H,23H2,1H3;1H/q+1;/p-1/b16-13+;

HIDE SMILES / InChI

Molecular Formula	C29H26N2PS
Molecular Weight	465.569
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	Br
Molecular Weight	79.904
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
Neuropeptide S receptor 2 Target ID: Q6W5P4\|\|\|Q6JSL6 Gene ID: 387129.0 Gene Symbol: NPSR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24171469	Antagonist 2849

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:08:48 GMT 2025` Edited by `admin` on `Wed Apr 02 12:08:48 GMT 2025`
Record UNII	QF6BKX96N5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ML154

Preferred Name

English

ML-154

Common Name

English

3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide

Systematic Name

English

IMIDAZO(1,2-A)PYRIDINIUM, 3-(DIPHENYLPHOSPHINOTHIOYL)-2-METHYL-1-((2E)-3-PHENYL-2-PROPEN-1-YL)-, BROMIDE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

QF6BKX96N5