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Compound Detail

CHEMBL4795693

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Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cccnc12

Basic Information

ChEMBL ID CHEMBL4795693
Phase Preclinical
Structure Type MOL
InChI Key REOHBDCKJQYOFZ-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.8
MW (Da)
2.84
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17ClN6
MW 328.81
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
A673
CHEMBL614517
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
A673 IC50 = 20.0 nM 7.7 Inhibition of cell proliferation of human A673 cells incubated for 72 hrs by CyQ... -

Data from ChEMBL 36 via Core Engine