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Compound Detail

CHEMBL129507

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CCc1c(C)nc(OC)c2c1C(c1cc(C)cc(C)c1)OC(C(C)(C)C)=N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129507
Phase Preclinical
Structure Type MOL
InChI Key KTWSBNKAFORNHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
5.77
ALogP
4
HBA
0
HBD
43.7
PSA (Ų)
0.69
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 C23H30N2O2
MW 366.51
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
11052800 10.1021/jm0009437 CEM-SS 2

Data from ChEMBL 36 via Core Engine