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Compound Detail

CHEMBL329390

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O=C(c1cccnc1O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329390
Phase Preclinical
Structure Type MOL
InChI Key JFIVRTZTCVMFFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
4.67
ALogP
4
HBA
1
HBD
66.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22ClN3O2
MW 431.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
7914928 10.1021/jm00043a009 Mus musculus 2
7914928 10.1021/jm00043a009 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine