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Compound Detail

CHEMBL58201

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CC(C)c1ccc(-c2n[nH]c(-c3cc(Cl)cc(Cl)c3O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58201
Phase Preclinical
Structure Type MOL
InChI Key FHTRODXTHPNDGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.2
MW (Da)
5.27
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15Cl2N3O
MW 348.23
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.18

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