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Compound Detail

CHEMBL3417529

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CC(C)Nc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3417529
Phase Preclinical
Structure Type MOL
InChI Key KXQKCPIYJPBSDQ-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
4.01
ALogP
9
HBA
1
HBD
114.9
PSA (Ų)
0.37
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 C27H32N8O2
MW 500.61
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
25671290 10.1021/jm501185j Arachidonate 5-lipoxygenase-activating protein 2

Data from ChEMBL 36 via Core Engine