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Compound Detail

CHEMBL585685

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CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(OC)cc3)nnn2-c2nonc2N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL585685
Phase Preclinical
Structure Type MOL
InChI Key MGUQKBPSRZJMHA-ZMOGYAJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
2.46
ALogP
11
HBA
2
HBD
155.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N8O4
MW 462.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
19908840 10.1021/jm901070c Unchecked 1

Data from ChEMBL 36 via Core Engine