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Compound Detail

CHEMBL5268624

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COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)N1C(=O)OC[C@@H]1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5268624
Phase Preclinical
Structure Type MOL
InChI Key XDSLCISYAYHMKK-VBKZILBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
3.20
ALogP
7
HBA
0
HBD
75.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25NO7
MW 415.44
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
36471625 10.1021/acs.jmedchem.2c01595 K562 1
36471625 10.1021/acs.jmedchem.2c01595 MCF7 1
36471625 10.1021/acs.jmedchem.2c01595 HT-29 1
36471625 10.1021/acs.jmedchem.2c01595 HCT-116 1

Data from ChEMBL 36 via Core Engine