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Compound Detail

CHEMBL360793

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Cc1ncc(-c2cnc(N3Cc4c(nc5ccccc5c4O)C3c3ccc4c(c3)CCO4)nc2)n1C

Basic Information

ChEMBL ID CHEMBL360793
Phase Preclinical
Structure Type MOL
InChI Key YNUXXMJVZSTPFZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
4.48
ALogP
8
HBA
1
HBD
89.2
PSA (Ų)
0.41
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 C28H24N6O2
MW 476.54
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.48

Activity Summary

Ki 1 meas. best 9.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL4567
Ki 9.62 9.62 0.2 1

Pharmacokinetic Data

Parameter Value Units Species
F - % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771456 10.1021/jm0401098 Unchecked 6
15771456 10.1021/jm0401098 cGMP-specific 3',5'-cyclic phosphodiesterase 1
15771456 10.1021/jm0401098 ADMET 1

Data from ChEMBL 36 via Core Engine