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Compound Detail

CHEMBL1950954

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O=C(O)/C=C/c1ccc2c(c1)[nH]c1c(C34CC5CC(CC(C5)C3)C4)c(O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1950954
Phase Preclinical
Structure Type MOL
InChI Key PQTAUVHBHYSMOK-QHHAFSJGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
5.59
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25NO3
MW 387.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
22136251 10.1021/jm2011436 KG-1 4
22136251 10.1021/jm2011436 K562 2
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