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Compound Detail

CHEMBL5308250

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CCC[C@@H]1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(CC1)CC2

Basic Information

ChEMBL ID CHEMBL5308250
Phase Preclinical
Structure Type MOL
InChI Key NPPMVTBTTJNVKP-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.61
ALogP
4
HBA
2
HBD
71.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26N4O
MW 326.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.09

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
CHEMBL3535
IC50 5.13 5.13 7470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A IC50 = 7470.0 nM 5.13 Panlabs assay PDE9A2 -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303765 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A 3
- 10.6019/CHEMBL5303765 Calcium/calmodulin-dependent protein kinase type IV 2
- 10.6019/CHEMBL5303765 BMP-2-inducible protein kinase 2
- 10.6019/CHEMBL5303765 Aurora kinase B 2
- 10.6019/CHEMBL5303765 RAC-gamma serine/threonine-protein kinase 2
- 10.6019/CHEMBL5303765 Tyrosine-protein kinase ABL1 2
- 10.6019/CHEMBL5303765 AP2-associated protein kinase 1 2
- 10.6019/CHEMBL5303765 Bone morphogenetic protein receptor type-2 2
- 10.6019/CHEMBL5303765 Cytoplasmic tyrosine-protein kinase BMX 2
- 10.6019/CHEMBL5303765 Calcium/calmodulin-dependent protein kinase type II subunit delta 2
- 10.6019/CHEMBL5303765 Cyclin-dependent kinase 2 2
- 10.6019/CHEMBL5303765 Serine/threonine-protein kinase WNK1 2
- 10.6019/CHEMBL5303765 Serine/threonine-protein kinase B-raf 2
- 10.6019/CHEMBL5303765 Calcium/calmodulin-dependent protein kinase type 1D 2
- 10.6019/CHEMBL5303765 Calcium/calmodulin-dependent protein kinase type II subunit beta 2
- 10.6019/CHEMBL5303765 Bromodomain-containing protein 4 2
- 10.6019/CHEMBL5303765 Cell division control protein 42 homolog 2
- 10.6019/CHEMBL5303765 Cyclin-dependent kinase-like 1 2
- 10.6019/CHEMBL5303765 Peregrin 2
- 10.6019/CHEMBL5303765 Calcium/calmodulin-dependent protein kinase type 1G 2

Data from ChEMBL 36 via Core Engine