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Compound Detail

CHEMBL132273

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c1ccc(CNc2[nH]c(Cc3ccccc3)nc3ncnc2-3)cc1

Basic Information

ChEMBL ID CHEMBL132273
Phase Preclinical
Structure Type MOL
InChI Key FZINCNYXSVJPEN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.51
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5
MW 315.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
IC50 4.54 4.54 29000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 29000.0 nM 4.54 Inhibitory activity against phosphodiesterase 4 isolated from guinea pig ventric... 9767640

Literature References

PubMed DOI Target Context # Activities
9767640 10.1021/jm981012m Phosphodiesterase 4 1
9767640 10.1021/jm981012m Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine