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Compound Detail

CHEMBL5436886

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[2H]C([2H])(Oc1nc(NCC23CCCN2CCC3)c2cnc(-c3cc(O)cc4ccc(F)c(C#C)c34)c(F)c2n1)C12CCCN1CC(=C(F)F)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5436886
Phase Preclinical
Structure Type MOL
InChI Key FCIZYIZLDHXAAP-FCLBBQIASA-N
Parent Compound CHEMBL5500134
Active Moiety CHEMBL5500134
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

658.7
MW (Da)
6.62
ALogP
8
HBA
2
HBD
86.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H34F4N6O2
MW 660.71
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.34

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