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Compound Detail

CHEMBL544491

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Cl.Fc1ccccc1Cn1cnc2c(N3CCCCC3)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544491
Phase Preclinical
Structure Type MOL
InChI Key YKEIYAVURZFVDI-UHFFFAOYSA-N
Parent Compound CHEMBL1193132
Active Moiety CHEMBL1193132
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.00
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.75
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 C17H19ClFN5
MW 347.83
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.83

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9191951 10.1021/jm960827x Phosphodiesterase 3 1
9191951 10.1021/jm960827x Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine