Compound Detail

CHEMBL1529201

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CC1(C)[N+]([O-])=c2ccc([N+](=O)[O-])cc2=[N+]1[O-].NO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1529201
Phase	Preclinical
Structure Type	MOL
InChI Key	HUDAANOLZQAPKV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

256.2

MW (Da)

First in Class Prodrug

Molecular Formula	C9H12N4O5
MW	256.22

IC50 5 meas. best 6.58

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170	IC50	6.58	5.62	260.0	2
Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361	IC50	5.38	5.38	4146.3	1
Apoptotic protease-activating factor 1 CHEMBL1795093	IC50	4.93	4.93	11700.0	1
Unchecked CHEMBL612545	IC50	4.84	4.84	14500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1	IC50	=	260.0	nM	6.58	PUBCHEM_BIOASSAY: uHTS Homogeneous Terbium Time-Resolved Fluorescence Resonance ...	-
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	4146.3	nM	5.38	PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito...	-
Apoptotic protease-activating factor 1	IC50	=	11700.0	nM	4.93	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore...	-
Unchecked	IC50	=	14500.0	nM	4.84	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-...	-
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1	IC50	=	22100.0	nM	4.66	PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf...	-

Data from ChEMBL 36 via Core Engine