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Compound Detail

CHEMBL4439480

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CC(C)C[C@@H]1NC(=O)[C@]23[C@H]1[C@H](C)C(CO)=C[C@@H]2[C@@H]1[C@@]2(CCC[C@@]1(C)O)CC[C@]3(O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439480
Phase Preclinical
Structure Type MOL
InChI Key QATSZQQBBVIJIU-HXOPXJDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
2.12
ALogP
5
HBA
4
HBD
99.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H37NO5
MW 419.56
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 2.47

Literature References

PubMed DOI Target Context # Activities
31674782 10.1021/acs.jnatprod.9b00512 Isocitrate dehydrogenase [NADP] cytoplasmic 1

Data from ChEMBL 36 via Core Engine