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Compound Detail

CHEMBL430047

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COc1cc(C(=O)c2[nH]c3cccc(OC)c3c2N)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430047
Phase Preclinical
Structure Type MOL
InChI Key MKSOHAFKYMFZOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.02
ALogP
6
HBA
2
HBD
95.8
PSA (Ų)
0.66
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 C19H20N2O5
MW 356.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.10

Literature References

PubMed DOI Target Context # Activities
18260616 10.1021/jm7011547 L1210 1
18260616 10.1021/jm7011547 FM3A 1
18260616 10.1021/jm7011547 NON-PROTEIN TARGET 1
18260616 10.1021/jm7011547 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine