FEXAPOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C90H163N27O25S
Molecular Weight	2055.488
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=BROGCIMRGWLMOO-SJPGHYFNSA-N

InChI=1S/C90H163N27O25S/c1-15-48(12)68(95)84(137)110-60(41-67(123)124)81(134)105-55(28-31-64(93)119)75(128)104-56(29-32-65(94)120)77(130)115-69(47(10)11)85(138)111-59(39-45(6)7)80(133)113-62(42-118)82(135)103-54(27-23-37-101-90(98)99)76(129)116-70(49(13)16-2)86(139)108-52(25-19-21-35-92)73(126)109-58(38-44(4)5)79(132)106-57(30-33-66(121)122)78(131)117-71(50(14)17-3)87(140)107-51(24-18-20-34-91)72(125)102-53(26-22-36-100-89(96)97)74(127)114-63(43-143)83(136)112-61(88(141)142)40-46(8)9/h44-63,68-71,118,143H,15-43,91-92,95H2,1-14H3,(H2,93,119)(H2,94,120)(H,102,125)(H,103,135)(H,104,128)(H,105,134)(H,106,132)(H,107,140)(H,108,139)(H,109,126)(H,110,137)(H,111,138)(H,112,136)(H,113,133)(H,114,127)(H,115,130)(H,116,129)(H,117,131)(H,121,122)(H,123,124)(H,141,142)(H4,96,97,100)(H4,98,99,101)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-,69-,70-,71-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C90H163N27O25S
Molecular Weight	2055.488
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	9
Optical Activity	UNSPECIFIED

Description
Sources: https://nymox.com/science/fexapotide-for-bph | https://www.ncbi.nlm.nih.gov/pubmed/29380128

FEXAPOTIDE is a protein drug that is under development for the treatment of benign prostatic hyperplasia (prostate enlargement, BPH) and for low grade localized prostate cancer. It safely targets prostate glandular cells that have proliferated in BPH. FEXAPOTIDE works by a mechanism of inducing apoptosis.

Originator

Approval Year

PubMed

Title	Date	PubMed

Sample Use Guides

In Vivo Use Guide

FEXAPOTIDE 2.5 mg in 10 ml phosphate buffered saline (PBS) sterile solution.

Route of Administration: Other

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:12:31 GMT 2023` Edited by `admin` on `Sat Dec 16 02:12:31 GMT 2023`
Record UNII	9L8TV1O7E0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEXAPOTIDE

Official Name

English

NYM-4805

Code

English

L-LEUCINE, L-ISOLEUCYL-L-.ALPHA.-ASPARTYL-L-GLUTAMINYL-L-GLUTAMINYL-L-VALYL-L-LEUCYL-L-SERYL-L-ARGINYL-L-ISOLEUCYL-L-LYSYL-L-LEUCYL-L-.ALPHA.-GLUTAMYL-L-ISOLEUCYL-L-LYSYL-L-ARGINYL-L-CYSTEINYL-

Systematic Name

English

ILE-ASP-GLN-GLN-VAL-LEU-SER-ARG-ILE-LYS-LEU-GLU-ILE-LYS-ARG-CYS-LEU

Common Name

English

NYM4805

Code

English

NX-1207

Code

English

FEXAPOTIDE [USAN]

Common Name

English

fexapotide [INN]

Common Name

English

Fexapotide [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-ATC

G04CX04