Compound Detail

CHEMBL232914

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C[C@@H]1N[C@H](C(=O)N2CCC[C@H]2C#N)C[C@@H]1C(=O)N(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL232914
Phase	Preclinical
Structure Type	MOL
InChI Key	SWPBVLLEPCHDKU-BJDJZHNGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

278.4

MW (Da)

-0.04

ALogP

HBA

HBD

76.4

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dipeptidyl peptidase 4 CHEMBL284	IC50	8.0	8.0	10.0	2
Dipeptidyl peptidase 9 CHEMBL4793	IC50	5.6	5.6	2500.0	1
Dipeptidyl peptidase 8 CHEMBL4657	IC50	4.85	4.85	14000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dipeptidyl peptidase 4	IC50	=	10.0	nM	8.0	Inhibition of human DPP4	17293118
Dipeptidyl peptidase 4	IC50	=	10.0	nM	8.0	Inhibition of human DPP4	17962025
Dipeptidyl peptidase 9	IC50	=	2500.0	nM	5.6	Inhibition of human DPP9	17962025
Dipeptidyl peptidase 8	IC50	=	14000.0	nM	4.85	Inhibition of human DPP8	17962025

PubMed	DOI	Target Context	# Activities
17293118	10.1016/j.bmc.2007.01.041	Dipeptidyl peptidase 4	4
17293118	10.1016/j.bmc.2007.01.041	Rattus norvegicus	3
17962025	10.1016/j.bmc.2007.10.005	Rattus norvegicus	2
17293118	10.1016/j.bmc.2007.01.041	Canis familiaris	1
17293118	10.1016/j.bmc.2007.01.041	Cynomolgus monkey	1
17293118	10.1016/j.bmc.2007.01.041	No relevant target	1
17962025	10.1016/j.bmc.2007.10.005	Dipeptidyl peptidase 4	1
17962025	10.1016/j.bmc.2007.10.005	Dipeptidyl peptidase 8	1
17962025	10.1016/j.bmc.2007.10.005	Dipeptidyl peptidase 9	1

Data from ChEMBL 36 via Core Engine