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Compound Detail

CHEMBL5414899

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Cc1nc2c(NCc3ccc(CN4CCCCCC4)cc3)cccc2c(=O)n1C1CCC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5414899
Phase Preclinical
Structure Type MOL
InChI Key XUAZHAMKIVKVQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
3.67
ALogP
7
HBA
2
HBD
96.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N5O3
MW 487.60
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
36577219 10.1016/j.ejmech.2022.115016 MM1.S 1
36577219 10.1016/j.ejmech.2022.115016 Daudi 1

Data from ChEMBL 36 via Core Engine