GM-1489

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H33N3O4
Molecular Weight	463.5686
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](CC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](C)C3=CC=CC=C3

InChI

InChIKey=BLPWNGOQQLJQOL-NRYAXDJKSA-N

InChI=1S/C27H33N3O4/c1-17(2)13-20(15-25(31)32)26(33)30-24(14-21-16-28-23-12-8-7-11-22(21)23)27(34)29-18(3)19-9-5-4-6-10-19/h4-12,16-18,20,24,28H,13-15H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t18-,20+,24-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Potency
Interstitial collagenase 1 Target ID: P03956 Gene ID: 4312.0 Gene Symbol: MMP1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9128761	Inhibitor 8504	0.2 nM [Ki]
Neutrophil collagenase 2 Target ID: P22894 Gene ID: 4317.0 Gene Symbol: MMP8 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9128761	Inhibitor 8504	100.0 nM [Ki]
72 kDa type IV collagenase 5 Target ID: P08253 Gene ID: 4313.0 Gene Symbol: MMP2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9128761	Inhibitor 8504	500.0 nM [Ki]
Matrix metalloproteinase-9 3 Target ID: P14780 Gene ID: 4318.0 Gene Symbol: MMP9 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9128761	Inhibitor 8504	100.0 nM [Ki]
Stromelysin-1 1 Target ID: P08254 Gene ID: 4314.0 Gene Symbol: MMP3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9128761	Inhibitor 8504	20.0 µM [Ki]

Name

Type

Language

GM-1489

Code

English

NSC-727678

Preferred Name

English

Hexanoic acid, 3-[[[1-(1H-indol-3-ylmethyl)-2-oxo-2-[(1-phenylethyl)amino]ethyl]amino]carbonyl]-5-methyl-, [3R-[3R*[S*(S*)]]]-

Systematic Name

English

Hexanoic acid, 3-[[[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]carbonyl]-5-methyl-, (3R)-

Systematic Name

English

N-[(2R)-2-(Hydroxamidocarbonylmethyl)-4-methylpentanoyl]-L-tryptophan Methylamide

Systematic Name

English

(3R)-3-[[[(1S)-1-(1H-Indol-3-ylmethyl)-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]carbonyl]-5-methylhexanoic acid

Systematic Name

English

Code System Code Type Description

CAS

170905-75-6