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Compound Detail

CHEMBL5558560

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O=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558560
Phase Preclinical
Structure Type MOL
InChI Key HOPYLNFVQXQLDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

522.0
MW (Da)
4.99
ALogP
7
HBA
2
HBD
109.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17ClFN5O3S
MW 521.96
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
38375763 10.1021/acs.jmedchem.3c02096 DNA polymerase theta 1

Data from ChEMBL 36 via Core Engine