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Compound Detail

CHEMBL4866835

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Nc1nc(Cl)c2nc(N)n(Cc3ccc(F)c(Cl)c3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866835
Phase Preclinical
Structure Type MOL
InChI Key FKFCCMODCUOPOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.1
MW (Da)
2.48
ALogP
6
HBA
2
HBD
95.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9Cl2FN6
MW 327.15
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
34267888 10.1021/acsmedchemlett.1c00213 Heat shock protein 75 kDa, mitochondrial 1
34267888 10.1021/acsmedchemlett.1c00213 Heat shock protein HSP 90-alpha 1
34267888 10.1021/acsmedchemlett.1c00213 Endoplasmin 1

Data from ChEMBL 36 via Core Engine