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Compound Detail

CHEMBL553133

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CCN(CC)[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553133
Phase Preclinical
Structure Type MOL
InChI Key NBQJAIXRGXZMHY-ZBWZZBALSA-N
Parent Compound CHEMBL1194707
Active Moiety CHEMBL1194707
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
3.46
ALogP
8
HBA
1
HBD
86.7
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 C25H30ClNO7
MW 491.97
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10108-1 H9 2

Data from ChEMBL 36 via Core Engine