Compound Detail

CHEMBL5306577

Enter ChEMBL ID:

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

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5306577
Phase	Preclinical
Structure Type	MOL
InChI Key	NPPMVTBTTJNVKP-ZDUSSCGKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

326.4

MW (Da)

2.61

ALogP

HBA

HBD

71.9

PSA (Å²)

0.90

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug Chemical Probe

IC50 7 meas. best 7.82

EC50 1 meas. best 6.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A CHEMBL3535	IC50	7.82	7.82	15.0	1
Phosphodiesterase PDE1 CHEMBL4524014	IC50	6.12	6.12	753.0	1
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A CHEMBL5169102	EC50	6.0	6.0	995.0	1
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A CHEMBL4640	IC50	5.83	5.83	1490.0	1
Phosphodiesterase 6 CHEMBL2096979	IC50	5.81	5.81	1560.0	1
cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827	IC50	5.53	5.53	2980.0	1
3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275	IC50	5.4	5.4	3960.0	1
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A CHEMBL2717	IC50	5.18	5.18	6600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	IC50	=	15.0	nM	7.82	3H-cAMP and 3H-cGMP Scintillation Proximity Assay (PDE9A)	-
Phosphodiesterase PDE1	IC50	=	753.0	nM	6.12	3H-cAMP and 3H-cGMP Scintillation Proximity Assay (PDE1)	-
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	EC50	=	995.0	nM	6.0	Cellular PDE9A assay	-
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A	IC50	=	1490.0	nM	5.83	3H-cAMP and 3H-cGMP Scintillation Proximity Assay (PDE8A)	-
Phosphodiesterase 6	IC50	=	1560.0	nM	5.81	3H-cAMP and 3H-cGMP Scintillation Proximity Assay (PDE6)	-
cGMP-specific 3',5'-cyclic phosphodiesterase	IC50	=	2980.0	nM	5.53	3H-cAMP and 3H-cGMP Scintillation Proximity Assay (PDE5A)	-
3',5'-cyclic-AMP phosphodiesterase 4B	IC50	=	3960.0	nM	5.4	3H-cAMP and 3H-cGMP Scintillation Proximity Assay (PDE4B)	-
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A	IC50	=	6600.0	nM	5.18	3H-cAMP and 3H-cGMP Scintillation Proximity Assay (PDE11A)	-

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5303765	GABA-A receptor; anion channel	3
-	10.6019/CHEMBL5303765	Peregrin	2
-	10.6019/CHEMBL5303765	D(2) dopamine receptor	2
-	10.6019/CHEMBL5303765	Aurora kinase B	2
-	10.6019/CHEMBL5303765	BMP-2-inducible protein kinase	2
-	10.6019/CHEMBL5303765	Glutamate NMDA receptor	2
-	10.6019/CHEMBL5303765	AP2-associated protein kinase 1	2
-	10.6019/CHEMBL5303765	RAC-gamma serine/threonine-protein kinase	2
-	10.6019/CHEMBL5303765	Bromodomain-containing protein 4	2
-	10.6019/CHEMBL5303765	Calcium/calmodulin-dependent protein kinase type 1G	2
-	10.6019/CHEMBL5303765	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	2
-	10.6019/CHEMBL5303765	Sodium-dependent dopamine transporter	2
-	10.6019/CHEMBL5303765	Cytoplasmic tyrosine-protein kinase BMX	2
-	10.6019/CHEMBL5303765	Serine/threonine-protein kinase B-raf	2
-	10.6019/CHEMBL5303765	Voltage-gated L-type calcium channel	2
-	10.6019/CHEMBL5303765	cGMP-specific 3',5'-cyclic phosphodiesterase	2
-	10.6019/CHEMBL5303765	Calcium/calmodulin-dependent protein kinase type 1D	2
-	10.6019/CHEMBL5303765	Tyrosine-protein kinase ABL1	2
-	10.6019/CHEMBL5303765	Bone morphogenetic protein receptor type-2	2
-	10.6019/CHEMBL5303765	Calcium/calmodulin-dependent protein kinase type II subunit beta	2

Data from ChEMBL 36 via Core Engine