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Compound Detail

CHEMBL19122

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COc1cc(/N=c2\c(O)c(O)\c2=N/C(C)C(C)(C)C)c2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL19122
Phase Preclinical
Structure Type MOL
InChI Key ZZCHZXYLQGGLLY-IDUDEYGOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
3.10
ALogP
6
HBA
2
HBD
87.3
PSA (Ų)
0.76
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 C20H23N3O3
MW 353.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
10737752 10.1021/jm9905099 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine