Compound Detail

CHEMBL5886441

Enter ChEMBL ID:

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

CCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2c(n1)c(C)nn2[C@H](C)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5886441
Phase	Preclinical
Structure Type	MOL
InChI Key	RANZHWURGHEKDD-CQSZACIVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

420.5

MW (Da)

3.91

ALogP

HBA

HBD

95.6

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 3 meas. best 9.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B CHEMBL4425	IC50	9.33	9.33	0.5	1
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A CHEMBL3421	IC50	8.4	8.4	4.0	1
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C CHEMBL4619	IC50	8.0	8.0	10.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	IC50	=	0.47	nM	9.33	PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ...	-
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A	IC50	=	4.0	nM	8.4	PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ...	-
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C	IC50	=	10.0	nM	8.0	PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ...	-

Data from ChEMBL 36 via Core Engine