Compound Detail

CHEMBL5282636

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Cc1cc(Nc2cc3c(cn2)ncc(=O)n3-c2ccc(N)cc2)ncc1N1CCC(N)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5282636
Phase	Preclinical
Structure Type	MOL
InChI Key	VLRLWSUMWAJLDF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

442.5

MW (Da)

2.74

ALogP

HBA

HBD

128.0

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 7.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.38	7.26	42.0	2
MV4-11 CHEMBL613835	IC50	7.28	7.28	52.0	1
MOLM-13 CHEMBL3706572	IC50	6.19	6.19	651.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	IC50	=	42.0	nM	7.38	Inhibition of human FLT3 D835Y mutant using TK peptide as substrate incubated fo...	36638621
MV4-11	IC50	=	52.0	nM	7.28	Antiproliferative activity against human MV4-11 cells assessed as inhibition of ...	36638621
Receptor-type tyrosine-protein kinase FLT3	IC50	=	72.0	nM	7.14	Inhibition of human wild type FLT3 using TK peptide as substrate incubated for 1...	36638621
MOLM-13	IC50	=	651.0	nM	6.19	Antiproliferative activity against human MOLM-13 cells assessed as inhibition of...	36638621

PubMed	DOI	Target Context	# Activities
36638621	10.1016/j.bmc.2023.117155	Receptor-type tyrosine-protein kinase FLT3	2
36638621	10.1016/j.bmc.2023.117155	MV4-11	1
36638621	10.1016/j.bmc.2023.117155	MOLM-13	1

Data from ChEMBL 36 via Core Engine