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Compound Detail

CHEMBL39218

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CC(C)(C)c1cccc(-c2nc3cc(C(=N)N)ccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39218
Phase Preclinical
Structure Type MOL
InChI Key SUKGZKMQCNKTFY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.81
ALogP
2
HBA
3
HBD
78.5
PSA (Ų)
0.50
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 C18H20N4
MW 292.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.16

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