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Compound Detail

CHEMBL385794

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COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C(=N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL385794
Phase Preclinical
Structure Type MOL
InChI Key HCSWWEQONZOSDJ-LPHOPBHVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.92
ALogP
4
HBA
2
HBD
83.9
PSA (Ų)
0.66
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 C20H22N4O2
MW 350.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
17361994 10.1021/jm061016o Jurkat 1

Data from ChEMBL 36 via Core Engine