FK-888

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H36N4O4
Molecular Weight	588.6954
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC3=C(C=CC=C3)C=C2)NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)C5=CN(C)C6=CC=CC=C56

InChI

InChIKey=BFNKQTIJVFGCKQ-PDJGWCFMSA-N

InChI=1S/C36H36N4O4/c1-38-23-30(29-14-8-9-15-32(29)38)35(43)40-22-28(41)20-33(40)34(42)37-31(36(44)39(2)21-24-10-4-3-5-11-24)19-25-16-17-26-12-6-7-13-27(26)18-25/h3-18,23,28,31,33,41H,19-22H2,1-2H3,(H,37,42)/t28-,31+,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H36N4O4
Molecular Weight	588.6954
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neurokinin 1 receptor 35 Target ID: CHEMBL249 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7686493\|https://www.ncbi.nlm.nih.gov/pubmed/1282073\|https://www.ncbi.nlm.nih.gov/pubmed/8630576	Antagonist 2778		0.72 nM [IC50]

PubMed

Title	Date	PubMed
A neurokinin 1-receptor antagonist improves exercise-induced airway narrowing in asthmatic patients.	1996 Mar	8630576
Further evidence for the involvement of tachykinin receptor subtypes in formalin and capsaicin models of pain in mice.	1997 Aug	9308027
Chemically modified chiral monolithic silica column prepared by a sol-gel process for enantiomeric separation by micro high-performance liquid chromatography.	2002 Jan 4	11822400
Chemically modified "polar patch" mutants of subtilisin in peptide synthesis with remarkably broad substrate acceptance: designing combinatorial biocatalysts.	2002 Sep 16	12298003
Design of chiral monochloro-s-triazine reagents for the liquid chromatographic separation of amino acid enantiomers.	2003 May 23	12862373
Quantitation of 3-aminopropionamide in potatoes-a minor but potent precursor in acrylamide formation.	2004 Jul 28	15264910
Purification, characterization, gene cloning and nucleotide sequencing of D: -stereospecific amino acid amidase from soil bacterium: Delftia acidovorans.	2005 Dec	15959727
Single peptide bonds exhibit poly(pro)II ("random coil") circular dichroism spectra.	2005 Jul 13	15998070
A DmpA-homologous protein from Pseudomonas sp. is a dipeptidase specific for beta-alanyl dipeptides.	2005 Jun	15955066
Visual enantiomeric recognition of amino acid derivatives in protic solvents.	2005 Jun 10	15932296
Application of Fourier transform infrared spectroscopy for monitoring hydrolysis and synthesis reactions catalyzed by a recombinant amidase.	2005 Nov 1	16185648
[The effect of betulonic acid and its alanine amide derivatives on rat liver parenchyma repair during postcytostatic period].	2005 Nov-Dec	16405036
Effect of betulonic acid and its derivative [3-oxo-20(29)-lupene-28-oyl]-3-aminopropionic acid on liver structure in mice with RLS lymphoma.	2005 Sep	16307059
Structure- and property-based design of factor Xa inhibitors: pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs.	2006 Dec 1	16982190
Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors.	2006 Jul 15	16697194
Bacillus decisifrondis sp. nov., isolated from soil underlying decaying leaf foliage.	2007 May	17473244
Complexes of Cu(II) ions and noncovalent interactions in systems with L-aspartic acid and cytidine-5'-monophosphate.	2008	18682818
Sugar-driven prebiotic synthesis of 3,5(6)-dimethylpyrazin-2-one: a possible nucleobase of a primitive replication process.	2008 Aug	18581252
Abstracts of the 2008 ISSOL Meeting. August 24-29, 2008. Florence, Italy.	2009 Aug	19468860
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.	2009 Jan-Feb	19105725
Complete genome sequence of Gordonia bronchialis type strain (3410).	2010 Jan 28	21304674
Ochrobactrum ciceri sp. nov., isolated from nodules of Cicer arietinum.	2010 Jul	19684324
Efficient synthesis of a small molecule, nonpeptide inhibitor of LFA-1.	2010 Oct 1	20831178
Complete genome sequence of Marinobacter adhaerens type strain (HP15), a diatom-interacting marine microorganism.	2010 Sep 28	21304739

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:44:58 UTC 2023` Edited by `admin` on `Sat Dec 16 15:44:58 UTC 2023`
Record UNII	DZQ7B7BPD4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FK-888

Code

English

(2S,4R)-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide

Systematic Name

English

L-Alaninamide, trans-4-hydroxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl-N-methyl-3-(2-naphthalenyl)-N-(phenylmethyl)-

Systematic Name

English

FK888

Code

English

(4R)-4-Hydroxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl-N-methyl-3-(2-naphthalenyl)-N-(phenylmethyl)-L-alaninamide

Systematic Name

English

L-Alaninamide, (4R)-4-hydroxy-1-[(1-methyl-1H-indol-3-yl)carbonyl]-L-prolyl-N-methyl-3-(2-naphthalenyl)-N-(phenylmethyl)-

Systematic Name

English

(2S)-N-benzyl-2-{[(2S,4R)-4-hydroxy-1-(1-methyl-1H-indole-3-carbonyl)pyrrolidin-2-yl]formamido}-N-methyl-3-(naphthalen-2-yl)propanamide

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70160680

Created by admin on Sat Dec 16 15:44:58 UTC 2023 , Edited by admin on Sat Dec 16 15:44:58 UTC 2023

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FDA UNII

DZQ7B7BPD4

Created by admin on Sat Dec 16 15:44:58 UTC 2023 , Edited by admin on Sat Dec 16 15:44:58 UTC 2023

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PUBCHEM

107967

Created by admin on Sat Dec 16 15:44:58 UTC 2023 , Edited by admin on Sat Dec 16 15:44:58 UTC 2023

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CAS

138449-07-7

Created by admin on Sat Dec 16 15:44:58 UTC 2023 , Edited by admin on Sat Dec 16 15:44:58 UTC 2023

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