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Compound Detail

CHEMBL5567364

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COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCC2CN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)C2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5567364
Phase Preclinical
Structure Type MOL
InChI Key ZPHDHFQPNLCDED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

677.7
MW (Da)
4.98
ALogP
10
HBA
2
HBD
152.3
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H28FN7O5S
MW 677.72
Aromatic Rings 6
Heavy Atoms 49
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