EcoDrugPlus


Synonyms	PT-100 Talabostat Valinyl-L-Boroproline
Status
Molecule Category	Free-form
UNII	KZ1O2SH88Z


InChI Key	FKCMADOPPWWGNZ-YUMQZZPRSA-N
Smiles	CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
InChI	InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1

Property Name	Value
Molecular Formula	C9H19BN2O3
Molecular Weight	214.07

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S28 family	-	15-86	-	125-125	-
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9A subfamily	-	73-980	-	-	-
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily	-	0.1-470	-	0.18-2	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.1-980	-	0.18-125	-
Mus musculus	-	66-70	-	-	-

Resources	Reference
ChEMBL	CHEMBL67279
DrugBank	DB06182
FDA SRS	KZ1O2SH88Z
Guide to Pharmacology	9892
PubChem	6918572
SureChEMBL	SCHEMBL393024
ZINC	ZINC000169746694

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TALABOSTAT

Structure

Physicochemical Descriptors

Pharmacology

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