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Compound Detail

CHEMBL3318087

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COc1cc(C(=O)c2ccn(C)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318087
Phase Preclinical
Structure Type MOL
InChI Key OAKQHPZLWJGZQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
2.28
ALogP
5
HBA
0
HBD
49.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO4
MW 275.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
25025991 10.1021/jm500561a Tubulin 1

Data from ChEMBL 36 via Core Engine