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Compound Detail

CHEMBL289173

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CC(C)c1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289173
Phase Preclinical
Structure Type MOL
InChI Key TZYBTOFHAKWVST-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
3.64
ALogP
2
HBA
3
HBD
78.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4
MW 278.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.91

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11412977 10.1016/s0960-894x(01)00024-5 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1

Data from ChEMBL 36 via Core Engine