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

CHEMBL5995578

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
CC(c1ccc(C2CC2)nc1)n1nc(C#N)c2c(=O)[nH]c(C3CCC3c3ncc(F)cn3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5995578
Phase Preclinical
Structure Type MOL
InChI Key DFKCKCZESWJKRM-UHFFFAOYSA-N
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
3.46
ALogP
8
HBA
1
HBD
126.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN8O
MW 456.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.92

Activity Summary

Ki 8 meas. best 10.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
CHEMBL3535
 Ki 10.7 8.7175 0.0 8

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 Ki = 0.02 nM 10.7 Fluorescence Polarization Assay: Human PDE9 (PDE9A2, GenBank Accession No. NM_00... -
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A Ki = 0.02 nM 10.7 Enzyme Assay: Assays for PDE 1 through 11 were performed in parallel at room tem... -
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A Ki = 2.0 nM 8.7 Fluorescence Polarization Assay: Human PDE9 (PDE9A2, GenBank Accession No. NM_00... -
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A Ki = 2.0 nM 8.7 Enzyme Assay: Assays for PDE 1 through 11 were performed in parallel at room tem... -
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A Ki = 6.2 nM 8.21 Fluorescence Polarization Assay: Human PDE9 (PDE9A2, GenBank Accession No. NM_00... -
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A Ki = 6.2 nM 8.21 Enzyme Assay: Assays for PDE 1 through 11 were performed in parallel at room tem... -
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A Ki = 54.6 nM 7.26 Fluorescence Polarization Assay: Human PDE9 (PDE9A2, GenBank Accession No. NM_00... -
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A Ki = 54.6 nM 7.26 Enzyme Assay: Assays for PDE 1 through 11 were performed in parallel at room tem... -

Data from ChEMBL 36 via Core Engine