Compound Detail

CHEMBL3265288

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Cc1cs/c(=N\C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3265288
Phase	Preclinical
Structure Type	MOL
InChI Key	RGGFUBMUOVFZEF-LDRVEFRDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

347.4

MW (Da)

3.09

ALogP

HBA

HBD

90.3

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 5.38

Ki 1 meas. best 5.32

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
B-ALL CHEMBL4483287	IC50	5.38	5.38	4200.0	1
Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist CHEMBL3430886	IC50	5.33	5.33	4700.0	1
Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361	IC50	5.33	5.33	4700.0	4
Unchecked CHEMBL612545	IC50	5.32	5.32	4780.0	1
Unchecked CHEMBL612545	Ki	5.32	5.32	4800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
B-ALL	IC50	=	4200.0	nM	5.38	Cytotoxicity against human B-ALL cells assessed as reduction in cell viability a...	29407973
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	4720.0	nM	5.33	Inhibition of FITC-labeled MCL1 (unknown origin) after 5 mins by fluorescence po...	24749893
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	4700.0	nM	5.33	Inhibition of recombinant FITC tagged MCL1 SAHBA binding to MCL1 deltaNdeltaC (u...	29407973
Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist	IC50	=	4700.0	nM	5.33	Inhibition of Mcl-1/Bid (unknown origin) by fluorescence polarization assay	33333396
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	4700.0	nM	5.33	Inhibition of Mcl-1 (unknown origin) measured after 5 mins by spectramax M5 micr...	33333396
Induced myeloid leukemia cell differentiation protein Mcl-1	IC50	=	4700.0	nM	5.33	Inhibition of FITC-MCL-1 SAHBa binding to recombinant MCL-1 (172 - 327 residues)...	33333396
Unchecked	IC50	=	4780.0	nM	5.32	Inhibition of FITC-labeled Bid BH3 peptide binding to GST-tagged MCL1 harboring ...	-
Unchecked	Ki	=	4800.0	nM	5.32	Inhibition of FITC-BID BH3 peptide binding to GST-tagged MCl-1 deltaNdeltaC muta...	31129454

PubMed	DOI	Target Context	# Activities
33333396	10.1016/j.ejmech.2020.113038	Induced myeloid leukemia cell differentiation protein Mcl-1	2
24749893	10.1021/jm500010b	Induced myeloid leukemia cell differentiation protein Mcl-1	1
24749893	10.1021/jm500010b	Bcl-2-like protein 1	1
-	10.1039/C5MD00582E	Unchecked	1
29407973	10.1016/j.ejmech.2018.01.076	B-ALL	1
29407973	10.1016/j.ejmech.2018.01.076	Unchecked	1
29407973	10.1016/j.ejmech.2018.01.076	Induced myeloid leukemia cell differentiation protein Mcl-1	1
31129454	10.1016/j.ejmech.2019.05.019	Unchecked	1
33333396	10.1016/j.ejmech.2020.113038	Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist	1
33333396	10.1016/j.ejmech.2020.113038	Bcl-xL/BH3-interacting domain death agonist	1

Data from ChEMBL 36 via Core Engine