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Compound Detail

CHEMBL5431057

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COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(CC3CN(C(C)=O)C3)c3c(c2OC)OCO3)CCN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5431057
Phase Preclinical
Structure Type MOL
InChI Key DYJMEDVIEAQOIL-PKTZIBPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

524.6
MW (Da)
2.90
ALogP
9
HBA
0
HBD
96.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N2O8
MW 524.57
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
38352836 10.1021/acsmedchemlett.3c00462 MOLM-13 1
38352836 10.1021/acsmedchemlett.3c00462 NB-4 1
38352836 10.1021/acsmedchemlett.3c00462 JeKo-1 1

Data from ChEMBL 36 via Core Engine