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Compound Detail

CHEMBL2426199

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O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccn2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426199
Phase Preclinical
Structure Type MOL
InChI Key KLBPFYGQPXRYTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.2
MW (Da)
4.55
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9Cl2N5OS
MW 366.23
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.67

Literature References

PubMed DOI Target Context # Activities
24012121 10.1016/j.bmcl.2013.08.025 RecQ-like DNA helicase BLM 1

Data from ChEMBL 36 via Core Engine