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Compound Detail

CHEMBL301277

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Oc1c(Cl)cccc1-c1n[nH]c(-c2ccc(Cl)c(Cl)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301277
Phase Preclinical
Structure Type MOL
InChI Key DDXRNMXVXWNMAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.6
MW (Da)
4.80
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8Cl3N3O
MW 340.60
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
9873461 10.1016/s0960-894x(98)00325-4 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1

Data from ChEMBL 36 via Core Engine