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Compound Detail

CHEMBL1950945

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O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1950945
Phase Preclinical
Structure Type MOL
InChI Key PCDTXXKIBTZWQL-QHHAFSJGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
5.32
ALogP
3
HBA
3
HBD
94.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26O5
MW 418.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.48

Literature References

PubMed DOI Target Context # Activities
22136251 10.1021/jm2011436 KG-1 4
22136251 10.1021/jm2011436 K562 4
22136251 10.1021/jm2011436 OCI-AML2 2
22136251 10.1021/jm2011436 MOLT-4 2
22136251 10.1021/jm2011436 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine