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Compound Detail

CHEMBL5405461

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O=C(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1Cl)[C@H]1CNC[C@@H](CO)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5405461
Phase Preclinical
Structure Type MOL
InChI Key XCPILZLSNRMARV-MAUKXSAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

463.9
MW (Da)
2.48
ALogP
8
HBA
2
HBD
109.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClN7O2
MW 463.93
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.32

Literature References

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

Data from ChEMBL 36 via Core Engine