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Compound Detail

CHEMBL3422334

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Sc1nnc2c(n1)[nH]c1ccccc12

Basic Information

ChEMBL ID CHEMBL3422334
Phase Preclinical
Structure Type MOL
InChI Key RPEJKVRRTJDBSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
1.79
ALogP
4
HBA
2
HBD
54.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6N4S
MW 202.24
Aromatic Rings 3
Heavy Atoms 14
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
25695864 10.1021/jm5015814 Aldo-keto reductase family 1 member B7 1
25695864 10.1021/jm5015814 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine