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Compound Detail

CHEMBL344726

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O=C(N[C@@H]1N=C(c2ccccc2)c2cc([N+](=O)[O-])cc3c2N(CC3)C1=O)c1cc2ccccc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344726
Phase Preclinical
Structure Type MOL
InChI Key HUUBQLBOULBEGY-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

477.5
MW (Da)
3.64
ALogP
6
HBA
1
HBD
117.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H19N5O4
MW 477.48
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
11123995 10.1021/jm000315p Phosphodiesterase 4 1
11123995 10.1021/jm000315p Phosphodiesterase 3 1
11123995 10.1021/jm000315p Phosphodiesterase, PDE1/PDE5 1

Data from ChEMBL 36 via Core Engine