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Compound Detail

CHEMBL5407175

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O=C(c1ccc(-c2cnn3cccnc23)cc1)N(c1ncccc1F)[C@@H]1CCCNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407175
Phase Preclinical
Structure Type MOL
InChI Key CNVDHFMMEIAAPT-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
3.33
ALogP
6
HBA
1
HBD
75.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21FN6O
MW 416.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
37379958 10.1016/j.bmcl.2023.129394 Bone marrow cell 2
37379958 10.1016/j.bmcl.2023.129394 Proprotein convertase subtilisin/kexin type 9 1
37379958 10.1016/j.bmcl.2023.129394 Unchecked 1

Data from ChEMBL 36 via Core Engine