Gabexate

Summary

Gabexate (CHEMBL87563) is a phase-3 clinical-stage small molecule targeting TPSAB1; indicated across 1 condition including liver disorder.

At a glance

• Status: Max clinical phase 3 (not approved)
• Modality: Small molecule
• Targets: 1 (TPSAB1)
• Indications: 1 condition
• Chemistry: 321.37 Da · C16H23N3O4

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL87563
Name	Gabexate
Type	Small molecule
Max phase	3
FDA approved	no
PubChem CID	3447
Molecular formula	C16H23N3O4
Molecular weight	321.37
InChIKey	YKGYIDJEEQRWQH-UHFFFAOYSA-N

SMILES: CCOC(=O)C1=CC=C(C=C1)OC(=O)CCCCCN=C(N)N

IUPAC name: ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate

Also known as: Gabexate, Gabexato, SID11114218, gabexate, GABEXATE, Gabexate (mesylate)

Parent form; salt/anhydrous children: CHEMBL1398351

Patent coverage: 614 distinct patent families (2,031 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 2,020 (99%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

Gene	Target	Action	pAffinity	Cancer dependency	UniProt
TPSAB1	tryptase alpha/beta 1	Inhibition	8.47	3.1%	Q15661

Broader ChEMBL bioactivity targets: 21 (assay-derived). Sample: Solute carrier family 22 member 2, Multidrug and toxin extrusion protein 1, Multidrug and toxin extrusion protein 2, Transmembrane protease serine 2, Plasminogen, Tissue-type plasminogen activator, Plasma kallikrein, Prothrombin, Serine protease hepsin, Menin/Histone-lysine N-methyltransferase MLL.

Bioactivity

ChEMBL activities: 14 potent at pChembl ≥ 5 of 24 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
TMPRSS2	6.89	IC50	130	nM	CHEMBL_ACT_25848523
F2	6.77	AC50	169.7	nM	CHEMBL_ACT_25197113
HPN	6.42	IC50	383	nM	CHEMBL_ACT_18289612
PLAU	6.37	IC50	431	nM	CHEMBL_ACT_16405365
SLC47A1	6.3	IC50	500	nM	CHEMBL_ACT_12637865
F2	6.16	IC50	687	nM	CHEMBL_ACT_16405254
SLC22A2	6.05	IC50	900	nM	CHEMBL_ACT_12636204
KLKB1	5.87	IC50	1350	nM	CHEMBL_ACT_16405266
CHRM2	5.83	AC50	1488	nM	CHEMBL_ACT_25196143
PLG	5.81	IC50	1550	nM	CHEMBL_ACT_16405263
PLG	5.72	Ki	1900	nM	CHEMBL_ACT_19054757
F12	5.54	Ki	2920	nM	CHEMBL_ACT_22793545
F10	5.34	IC50	4610	nM	CHEMBL_ACT_16405260
SLC6A2	5.04	AC50	9027	nM	CHEMBL_ACT_25146407

Target pathways

Aggregated over 1 target gene(s): TPSAB1.

Top Reactome pathways

1 total, by targets touching each:

Pathway	Targets	Genes
Activation of Matrix Metalloproteinases	1	TPSAB1

Dominant GO biological processes

GO term	Targets
proteolysis	1
defense response	1
extracellular matrix disassembly	1

Indications & clinical

Indications

1 indication (0 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).

Indication	Trial phase	MONDO	EFO
liver disorder	3	MONDO:0005154	EFO:0001421

Clinical trials

Total trials: 0.

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

1 molecules share ≥1 primary target. Top 1 by shared-target count:

Molecule	Source	Status	Shared targets
arginine	PubChem	Approved	TPSAB1