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Compound Detail

CHEMBL5394260

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Cc1ccc2c(c1)sc1nnc(SCc3ccc(Cl)cc3)n12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5394260
Phase Preclinical
Structure Type MOL
InChI Key TVXOVOXQVRWMTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

345.9
MW (Da)
5.20
ALogP
5
HBA
0
HBD
30.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClN3S2
MW 345.88
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -2.75

Literature References

PubMed DOI Target Context # Activities
36598465 10.1021/acs.jmedchem.2c01460 Poly [ADP-ribose] polymerase 2 1
36598465 10.1021/acs.jmedchem.2c01460 Poly [ADP-ribose] polymerase tankyrase-2 1
36598465 10.1021/acs.jmedchem.2c01460 Protein mono-ADP-ribosyltransferase PARP10 1
36598465 10.1021/acs.jmedchem.2c01460 Protein mono-ADP-ribosyltransferase PARP15 1

Data from ChEMBL 36 via Core Engine