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Compound Detail

CHEMBL104162

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CCOC(=O)CNC(=O)O[C@@H]1CO[C@]2(COC(C)(C)O2)[C@@](O)(C2OC2CC(C)C)[C@@H]1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104162
Phase Preclinical
Structure Type MOL
InChI Key KLJGEMMLHUCMDW-VHBBRUSXSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
0.71
ALogP
10
HBA
2
HBD
134.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H35NO10
MW 461.51
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.27

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00564-1 Gallus gallus 1
- 10.1016/S0960-894X(96)00564-1 A-431 1
- 10.1016/S0960-894X(96)00564-1 ADMET 1

Data from ChEMBL 36 via Core Engine