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Compound Detail

CHEMBL5559805

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COc1ccccc1-c1cnccc1C(=O)Nc1nnc(N2CC3(CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)C2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5559805
Phase Preclinical
Structure Type MOL
InChI Key BYCVXMOZAMXPQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

716.8
MW (Da)
5.57
ALogP
10
HBA
2
HBD
146.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H33FN8O4S
MW 716.80
Aromatic Rings 6
Heavy Atoms 52
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
38375763 10.1021/acs.jmedchem.3c02096 DNA polymerase theta 1
38375763 10.1021/acs.jmedchem.3c02096 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine