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Compound Detail

CHEMBL4074901

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CCC(c1ccc(OC)cc1)N(C)C(=O)c1cnn2cc(C)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4074901
Phase Preclinical
Structure Type MOL
InChI Key XAMWMZAKWJIJBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.27
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.72
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 C19H22N4O2
MW 338.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
28759228 10.1021/acs.jmedchem.7b00709 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine