Compound Detail

CHEMBL1499996

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Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCOCC3)sc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1499996
Phase	Preclinical
Structure Type	MOL
InChI Key	ZCVBVCFIGVDCHA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

364.5

MW (Da)

0.91

ALogP

HBA

HBD

76.5

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Insulin-degrading enzyme CHEMBL1293287	IC50	5.14	5.14	7157.0	1
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170	IC50	4.97	4.655	10800.0	2
Unchecked CHEMBL612545	IC50	4.67	4.67	21179.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Insulin-degrading enzyme	IC50	=	7157.0	nM	5.14	PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high...	-
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1	IC50	=	10800.0	nM	4.97	PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf...	-
Unchecked	IC50	=	21179.0	nM	4.67	PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base...	-
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1	IC50	=	46000.0	nM	4.34	PUBCHEM_BIOASSAY: uHTS Homogeneous Terbium Time-Resolved Fluorescence Resonance ...	-

Data from ChEMBL 36 via Core Engine