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Compound Detail

CHEMBL5624845

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Cc1nc2ccccn2c1/C=N/NC(=O)COc1ccccc1-c1cccc2c1CN(C1CCC(=O)N(C)C1=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5624845
Phase Preclinical
Structure Type MOL
InChI Key DSOWKLVGSISKSC-KPGMTVGESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

564.6
MW (Da)
2.94
ALogP
8
HBA
1
HBD
125.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28N6O5
MW 564.60
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
37390512 10.1016/j.ejmech.2023.115567 RS4-11 2
37390512 10.1016/j.ejmech.2023.115567 MOLT-4 2
37390512 10.1016/j.ejmech.2023.115567 MM1.S 1

Data from ChEMBL 36 via Core Engine