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Compound Detail

CHEMBL5076348

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c1cc(Nc2cc(-c3ccc4c(c3)OCO4)no2)nc(N2CCOCC2)n1

Basic Information

ChEMBL ID CHEMBL5076348
Phase Preclinical
Structure Type MOL
InChI Key OFMBTUZDQUHNHY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
2.44
ALogP
9
HBA
1
HBD
94.8
PSA (Ų)
0.75
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 C18H17N5O4
MW 367.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
JIMT-1
CHEMBL4296443
IC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
JIMT-1 IC50 = 870.0 nM 6.06 Antiproliferative activity against human JIMT-1 cells after 72 hrs by SRB assay -

Data from ChEMBL 36 via Core Engine