BIBP-3226

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31N5O3
Molecular Weight	473.5667
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=N)NCCC[C@@H](NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NCC3=CC=C(O)C=C3

InChI

InChIKey=KUWBXRGRMQZCSS-HSZRJFAPSA-N

InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H31N5O3
Molecular Weight	473.5667
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Neuropeptide FF receptor 2 1 Target ID: CHEMBL5952 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11325787	Antagonist 2778	79.0 nM [Ki]
Neuropeptide Y receptor type 1 5 Target ID: CHEMBL2587 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11325787 \| https://www.ncbi.nlm.nih.gov/pubmed/8997632	Antagonist 2778	1.1 nM [Ki]
Neuropeptide FF receptor (rat) 1 Target ID: Neuropeptide FF receptor (rat) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11325787	Antagonist 2778	108.0 nM [Ki]
Neuropeptide Y receptor type 1 5 Target ID: CHEMBL4777 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9879066 https://www.ncbi.nlm.nih.gov/pubmed/9274990	Antagonist 2778	8.2 null [pIC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:18:56 GMT 2023` Edited by `admin` on `Sat Dec 16 15:18:56 GMT 2023`
Record UNII	RG9766UGZ8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIBP-3226

Code

English

BIBP3226

Code

English

Benzeneacetamide, N-[(1R)-4-[(aminoiminomethyl)amino]-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl]-α-phenyl-

Systematic Name

English

(2R)-5-CARBAMIMIDAMIDO-2-(2,2-DIPHENYLETHANOYLAMINO)-N-((4-HYDROXYPHENYL)METHYL)PENTANAMIDE

Systematic Name

English

N-[(1R)-4-[(Aminoiminomethyl)amino]-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl]-α-phenylbenzeneacetamide

Systematic Name

English

Code System Code Type Description

FDA UNII

RG9766UGZ8