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Compound Detail

CHEMBL5403764

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CC(=O)NC[C@H]1CNC[C@H](N(C(=O)c2ccc(-n3nnc4cccnc43)cc2)c2ncccc2Cl)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403764
Phase Preclinical
Structure Type MOL
InChI Key SUTWPJDKWOMFME-YLJYHZDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

505.0
MW (Da)
2.62
ALogP
8
HBA
2
HBD
117.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClN8O2
MW 504.98
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
37379958 10.1016/j.bmcl.2023.129394 Proprotein convertase subtilisin/kexin type 9 1
37379958 10.1016/j.bmcl.2023.129394 Bone marrow cell 1

Data from ChEMBL 36 via Core Engine