Compound Detail

CHEMBL377193

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O=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL377193
Phase	Preclinical
Structure Type	MOL
InChI Key	NIMIWWQLOGNYHD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

292.3

MW (Da)

3.29

ALogP

HBA

HBD

89.1

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 7.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.48	7.22	33.0	4
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	6.77	6.77	171.0	1
Platelet-derived growth factor receptor CHEMBL2096980	IC50	6.52	6.52	300.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	6.3	6.3	500.0	2
Tyrosine-protein kinase ABL1 CHEMBL1862	IC50	5.89	5.89	1300.0	1
Bcr/Abl fusion protein CHEMBL2096618	IC50	5.38	5.38	4200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	IC50	=	33.0	nM	7.48	Inhibition of human FLT3	16722630
Receptor-type tyrosine-protein kinase FLT3	IC50	=	40.0	nM	7.4	Inhibition of endogenous FLT3 in EOL1 cells	16722630
Receptor-type tyrosine-protein kinase FLT3	IC50	=	100.0	nM	7.0	Antiproliferative activity against mouse 32Dcl3 cell line expressing FLT3-ITD	16722630
Receptor-type tyrosine-protein kinase FLT3	IC50	=	100.0	nM	7.0	Antiproliferative activity against mouse 32Dcl3 cell line expressing wild-type F...	16722630
Platelet-derived growth factor receptor beta	IC50	=	171.0	nM	6.77	Inhibition of human PDGFR beta	16722630
Platelet-derived growth factor receptor	IC50	=	300.0	nM	6.52	Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts	16722630
Mast/stem cell growth factor receptor Kit	IC50	=	500.0	nM	6.3	Inhibition of DNA synthesis in IL3 dependent FDC-P1 cells expressing wild-type K...	16722630
Mast/stem cell growth factor receptor Kit	IC50	=	500.0	nM	6.3	Inhibition of DNA synthesis in IL3 dependent FDC-P1 cells expressing KIT V558D m...	16722630
Tyrosine-protein kinase ABL1	IC50	=	1300.0	nM	5.89	Inhibition of recombinant Abl	16722630
Bcr/Abl fusion protein	IC50	=	4200.0	nM	5.38	Inhibition of oncogenic Bcr-Abl kinase in K562 cells	16722630

PubMed	DOI	Target Context	# Activities
16722630	10.1021/jm058033i	Receptor-type tyrosine-protein kinase FLT3	5
23398362	10.1042/bj20121418	Insulin-like growth factor 1 receptor	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase HCK	4
23398362	10.1042/bj20121418	Cyclin-dependent kinase 5/CDK5 activator 1	4
23398362	10.1042/bj20121418	Insulin receptor	4
23398362	10.1042/bj20121418	Protein kinase C beta type	4
23398362	10.1042/bj20121418	Serine/threonine-protein kinase mTOR	4
23398362	10.1042/bj20121418	cGMP-dependent protein kinase 1	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase Lck	4
23398362	10.1042/bj20121418	Inhibitor of nuclear factor kappa-B kinase subunit alpha	2
23398362	10.1042/bj20121418	Protein kinase C eta type	2
23398362	10.1042/bj20121418	Death-associated protein kinase 1	2
23398362	10.1042/bj20121418	Casein kinase I isoform delta	2
23398362	10.1042/bj20121418	Cyclin-dependent kinase 2/cyclin E	2
23398362	10.1042/bj20121418	Cyclin-dependent kinase 2/cyclin A	2
23398362	10.1042/bj20121418	Aurora kinase A	2
23398362	10.1042/bj20121418	Tyrosine-protein kinase ABL2	2
23398362	10.1042/bj20121418	Serine/threonine-protein kinase MARK1	2
23398362	10.1042/bj20121418	Serine/threonine-protein kinase 4	2
16722630	10.1021/jm058033i	Mast/stem cell growth factor receptor Kit	2

Data from ChEMBL 36 via Core Engine