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Compound Detail

CHEMBL1725584

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O=C1C(F)=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1n1cc(F)c(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL1725584
Phase Preclinical
Structure Type MOL
InChI Key JHTZZJGCWZYBMV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.5
MW (Da)
4.00
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22F2N2O5
MW 516.50
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.11

Activity Summary

IC50 1 meas. best 4.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.06 4.06 86672.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 86672.0 nM 4.06 PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... -

Data from ChEMBL 36 via Core Engine