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Compound Detail

CHEMBL4172281

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COC(=O)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172281
Phase Preclinical
Structure Type MOL
InChI Key HHMQHLDMDAEPGH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.04
ALogP
5
HBA
2
HBD
87.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO5
MW 313.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
29057043 10.1021/acsmedchemlett.7b00193 Heat shock protein HSP 90-alpha 1
29057043 10.1021/acsmedchemlett.7b00193 Endoplasmin 1
29057043 10.1021/acsmedchemlett.7b00193 RPMI-8226 1

Data from ChEMBL 36 via Core Engine