Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5882268

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCn1cc(CNc2cc(-c3cccnc3OCC)nc3c(C)nn(C(C)C)c23)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5882268
Phase Preclinical
Structure Type MOL
InChI Key NPLKFZSTTQLUHS-UHFFFAOYSA-N
3
Targets
21
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
5.00
ALogP
8
HBA
1
HBD
82.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N7O
MW 433.56
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.96

Activity Summary

IC50 21 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
CHEMBL4425
 IC50 8.96 8.96 1.1 7
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
CHEMBL4619
 IC50 8.07 8.07 8.5 7
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
CHEMBL3421
 IC50 7.96 7.96 11.0 7

Activity Data Samples

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 = 1.1 nM 8.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B IC50 = 1.1 nM 8.96 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: the a... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B IC50 = 1.1 nM 8.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B IC50 = 1.1 nM 8.96 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: the a... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B IC50 = 1.1 nM 8.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B IC50 = 1.1 nM 8.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B IC50 = 1.1 nM 8.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C IC50 = 8.5 nM 8.07 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C IC50 = 8.5 nM 8.07 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C IC50 = 8.5 nM 8.07 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C IC50 = 8.5 nM 8.07 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: the a... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C IC50 = 8.5 nM 8.07 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: the a... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C IC50 = 8.5 nM 8.07 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C IC50 = 8.5 nM 8.07 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A IC50 = 11.0 nM 7.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A IC50 = 11.0 nM 7.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A IC50 = 11.0 nM 7.96 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: the a... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A IC50 = 11.0 nM 7.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A IC50 = 11.0 nM 7.96 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: the a... -
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A IC50 = 11.0 nM 7.96 PDE1 Inhibition Assay: PDE1A, PDE1B and PDE1C assays were performed as follows: ... -

Data from ChEMBL 36 via Core Engine