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Compound Detail

CHEMBL5176622

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Cn1c(CSC2CCN(CC(=O)NCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc2cc(NC3CCCC3)cc(F)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176622
Phase Preclinical
Structure Type MOL
InChI Key RRSGNBJNSWBDLB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

803.0
MW (Da)
4.31
ALogP
12
HBA
4
HBD
174.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H51FN8O6S
MW 802.97
Aromatic Rings 3
Heavy Atoms 57
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
35608571 10.1021/acs.jmedchem.2c00281 Protein mono-ADP-ribosyltransferase PARP14 1

Data from ChEMBL 36 via Core Engine