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Compound Detail

CHEMBL69591

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O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL69591
Phase Preclinical
Structure Type MOL
InChI Key QBCZSCGNGKKCPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.22
ALogP
7
HBA
1
HBD
98.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11FN4O3S
MW 370.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
1613743 10.1021/jm00090a002 Aldo-keto reductase family 1 member B1 1
1613743 10.1021/jm00090a002 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine