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Compound Detail

CHEMBL13330

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COC[C@H]1OC(O)=C(C=N)C2=C(O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)C(=O)CC[C@@H]34)[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13330
Phase Preclinical
Structure Type MOL
InChI Key DHQJROWPLUTZEZ-QAIWCSMKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
2.47
ALogP
9
HBA
3
HBD
143.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO8
MW 445.47
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 2.30

Literature References

PubMed DOI Target Context # Activities
8676346 10.1021/jm950619p Unchecked 1
- 10.1016/0960-894X(95)00191-U Unchecked 1

Data from ChEMBL 36 via Core Engine