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Compound Detail

CHEMBL5400518

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O=C(C1CCN(c2nnc(-c3ccc(F)cc3)o2)CC1)N1CCC(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400518
Phase Preclinical
Structure Type MOL
InChI Key VXJXEAVJWVWBRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
4.57
ALogP
5
HBA
0
HBD
62.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29FN4O2
MW 448.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
37736177 10.1021/acsmedchemlett.3c00295 Mycobacterium tuberculosis 2
37736177 10.1021/acsmedchemlett.3c00295 HepG2 2

Data from ChEMBL 36 via Core Engine