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Compound Detail

CHEMBL5425767

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

Basic Information

ChEMBL ID CHEMBL5425767
Phase Preclinical
Structure Type MOL
InChI Key DAYVJKXFFSCZRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
5.45
ALogP
5
HBA
0
HBD
62.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29F3N4O2
MW 498.55
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.35

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