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Compound Detail

CHEMBL12997

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C/N=C/C1=C(O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12997
Phase Preclinical
Structure Type MOL
InChI Key DRDHEZSANBRILJ-FDTKQRJHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
2.52
ALogP
9
HBA
2
HBD
131.7
PSA (Ų)
0.48
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 C24H29NO8
MW 459.50
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.12

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