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Compound Detail

CHEMBL398574

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C[C@H](Nc1cc2c(N(C)C3CCCCCC3)c(C#N)cnc2cn1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398574
Phase Preclinical
Structure Type MOL
InChI Key ZQTXUBVACAXHIN-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
5.83
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5
MW 399.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
17664070 10.1016/j.bmc.2007.06.054 Unchecked 1

Data from ChEMBL 36 via Core Engine