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Compound Detail

CHEMBL4445261

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c1ccc2[nH]c(Sc3ccc(CN4CCOCC4)o3)nc2c1

Basic Information

ChEMBL ID CHEMBL4445261
Phase Preclinical
Structure Type MOL
InChI Key NRPGNMSRLSNHEG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.14
ALogP
5
HBA
1
HBD
54.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O2S
MW 315.40
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.01

Activity Summary

IC50 1 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 4.48 4.48 32900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 32900.0 nM 4.48 Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... -

Data from ChEMBL 36 via Core Engine