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Compound Detail

CHEMBL153627

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COc1cc(C(=O)Nc2cc(N)ccc2C(N)=O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153627
Phase Preclinical
Structure Type MOL
InChI Key VNEKJEQQDDGZID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.65
ALogP
6
HBA
3
HBD
125.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3O5
MW 345.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
11229768 10.1016/s0960-894x(00)00717-4 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine