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Compound Detail

CHEMBL5556293

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COc1ccccc1-c1cnccc1C(=O)Nc1nnc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5556293
Phase Preclinical
Structure Type MOL
InChI Key BWGXQHSNYNHMAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

676.7
MW (Da)
4.79
ALogP
10
HBA
2
HBD
146.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H29FN8O4S
MW 676.73
Aromatic Rings 6
Heavy Atoms 49
NP-Likeness -1.72

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