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

CHEMBL342285

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
Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cccnc1)C(=O)N3CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342285
Phase Preclinical
Structure Type MOL
InChI Key XGXOSJSGDNPEEF-NRFANRHFSA-N
7
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
2.16
ALogP
5
HBA
2
HBD
100.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N5O2
MW 397.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.55

Activity Summary

IC50 9 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
 IC50 7.1 7.1 80.0 1
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
 IC50 7.05 7.05 90.0 1
Phosphodiesterase 4
CHEMBL2093863
 IC50 6.57 6.57 270.0 1
Unchecked
CHEMBL612545
 IC50 6.57 6.3167 270.0 3
3',5'-cyclic-AMP phosphodiesterase 4A
CHEMBL254
 IC50 6.54 6.54 290.0 1
3',5'-cyclic-AMP phosphodiesterase 4C
CHEMBL291
 IC50 6.25 6.25 560.0 1
Phosphodiesterase 4
CHEMBL2094267
 IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3',5'-cyclic-AMP phosphodiesterase 4B IC50 = 80.0 nM 7.1 Affinity Biochemical interaction: (radioligand binding assay, inhibition of [3H]... -
3',5'-cyclic-AMP phosphodiesterase 4D IC50 = 90.0 nM 7.05 Affinity Biochemical interaction: (radioligand binding assay, inhibition of [3H]... -
Phosphodiesterase 4 IC50 = 270.0 nM 6.57 Inhibition of phosphodiesterase type 4 isozyme (PDE4) from the U937 human cell l... 11123995
Unchecked IC50 = 270.0 nM 6.57 Inhibition of PDE4 18686943
3',5'-cyclic-AMP phosphodiesterase 4A IC50 = 290.0 nM 6.54 Affinity Biochemical interaction: (radioligand binding assay, inhibition of [3H]... -
Unchecked IC50 = 340.0 nM 6.47 In vitro inhibition of TNF-alpha release from human peripheral blood monocytes 11123995
3',5'-cyclic-AMP phosphodiesterase 4C IC50 = 560.0 nM 6.25 Affinity Biochemical interaction: (radioligand binding assay, inhibition of [3H]... -
Unchecked IC50 = 1240.0 nM 5.91 In vitro inhibition of TNF-alpha-release from human whole blood 11123995
Phosphodiesterase 4 IC50 = 1700.0 nM 5.77 Inhibition of [3H]rolipram binding to Wistar rat brain membranes 11123995

Literature References

PubMed DOI Target Context # Activities
11123995 10.1021/jm000315p Unchecked 3
11123995 10.1021/jm000315p Phosphodiesterase 4 3
18686943 10.1021/jm800582j Rattus norvegicus 2
- 10.6019/CHEMBL5723035 3',5'-cyclic-AMP phosphodiesterase 4C 1
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
- 10.6019/CHEMBL5724796 Transcription intermediary factor 1-alpha 1
- 10.6019/CHEMBL5724796 Peregrin 1
- 10.6019/CHEMBL5724796 Fibroblast growth factor receptor 2 1
- 10.6019/CHEMBL5724796 Tyrosine-protein kinase ABL1 1
- 10.6019/CHEMBL5724796 Aurora kinase A 1
- 10.6019/CHEMBL5724796 Mitogen-activated protein kinase 1 1
- 10.6019/CHEMBL5724796 Glycogen synthase kinase-3 beta 1
- 10.6019/CHEMBL5724796 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL5724796 Casein kinase I isoform delta 1
- 10.6019/CHEMBL5723035 3',5'-cyclic-AMP phosphodiesterase 4B 1
- 10.6019/CHEMBL5723035 3',5'-cyclic-AMP phosphodiesterase 4D 1
- 10.6019/CHEMBL5723035 3',5'-cyclic-AMP phosphodiesterase 4A 1
18686943 10.1021/jm800582j Unchecked 1
11123995 10.1021/jm000315p Rattus norvegicus 1
11123995 10.1021/jm000315p Phosphodiesterase, PDE1/PDE5 1

Data from ChEMBL 36 via Core Engine