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Compound Detail

CHEMBL5567515

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COc1cc(-c2nc(C(=O)O)cc3cc4c(cc23)OCCO4)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5567515
Phase Preclinical
Structure Type MOL
InChI Key KYGKNDQOLUIQJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
3.40
ALogP
7
HBA
1
HBD
96.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO7
MW 397.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
38336655 10.1021/acs.jmedchem.3c02399 A549 1
38336655 10.1021/acs.jmedchem.3c02399 DU-145 1
38336655 10.1021/acs.jmedchem.3c02399 PC-3 1
38336655 10.1021/acs.jmedchem.3c02399 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine