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Compound Detail

CHEMBL1511078

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Sc1nnc2c3c4c(sc3ncn12)CCCC4

Basic Information

ChEMBL ID CHEMBL1511078
Phase Preclinical
Structure Type MOL
InChI Key LFPWPIGOSDJCPJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
2.51
ALogP
6
HBA
1
HBD
43.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10N4S2
MW 262.36
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.73

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA dC->dU-editing enzyme APOBEC-3G
CHEMBL1741217
IC50 6.0 5.75 992.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine