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Compound Detail

CHEMBL3963648

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Cc1c(/N=C/c2cc(Br)cc(Br)c2Br)cccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3963648
Phase Preclinical
Structure Type MOL
InChI Key YLXZJVOFGHBDGO-FBCYGCLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.0
MW (Da)
5.73
ALogP
2
HBA
1
HBD
49.7
PSA (Ų)
0.45
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 C15H10Br3NO2
MW 475.96
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA polymerase
CHEMBL3988586
 IC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA polymerase IC50 = 26000.0 nM 4.58 Inhibition Assay: A rapid plate DNA synthesis assay was performed using optimize... -

Data from ChEMBL 36 via Core Engine