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Compound Detail

CHEMBL278354

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CCCOc1ccc(C(N)=O)cc1-c1nc(O)c2cc3c(cc2n1)ncn3Cc1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL278354
Phase Preclinical
Structure Type MOL
InChI Key FHBUUNSHWMUODM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
4.43
ALogP
7
HBA
2
HBD
116.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22FN5O3
MW 471.49
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.48

Activity Summary

IC50 2 meas. best 9.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 9.32 9.32 0.5 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10753463 10.1021/jm000081+ Unchecked 4
11150175 10.1021/jm000336j Unchecked 3
11150175 10.1021/jm000336j cGMP-specific 3',5'-cyclic phosphodiesterase 2
11150175 10.1021/jm000336j Phosphodiesterase 3 and 5 (PDE3 and PDE5) 1
11150175 10.1021/jm000336j Phosphodiesterase 4 and 5 (PDE4 and PDE5) 1
10753463 10.1021/jm000081+ cGMP-specific 3',5'-cyclic phosphodiesterase 1
10753463 10.1021/jm000081+ Phosphodiesterase 3 and 5 (PDE3 and PDE5) 1

Data from ChEMBL 36 via Core Engine