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Compound Detail

CHEMBL5402876

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C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5C[C@H]6CC[C@@H](C5)N6)nc(N5C[C@@H]6C[C@H](C5)c5cccc(=O)n5C6)nc4c3F)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402876
Phase Preclinical
Structure Type MOL
InChI Key PVOGSYUTPSRMLL-FCJDFRRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

631.7
MW (Da)
4.54
ALogP
9
HBA
2
HBD
99.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H31F2N7O2
MW 631.69
Aromatic Rings 5
Heavy Atoms 47
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
37921024 10.1021/acs.jmedchem.3c01724 ASPC1 1
37921024 10.1021/acs.jmedchem.3c01724 AGS 1
37921024 10.1021/acs.jmedchem.3c01724 A549 1
37921024 10.1021/acs.jmedchem.3c01724 NCI-H1299 1

Data from ChEMBL 36 via Core Engine