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Compound Detail

CHEMBL64307

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CN(C)CCNC(=O)c1cc(Cl)cc2nc3oc4ccccc4c3nc12

Basic Information

ChEMBL ID CHEMBL64307
Phase Preclinical
Structure Type MOL
InChI Key ZCVNNVGTYKYKDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.8
MW (Da)
3.47
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN4O2
MW 368.82
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.24 5.24 5800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 5800.0 nM 5.24 Inhibitory concentration to reduce cell number to 50% of Murine P388 leukemia ce... 9207945

Literature References

PubMed DOI Target Context # Activities
9207945 10.1021/jm970044r NON-PROTEIN TARGET 3

Data from ChEMBL 36 via Core Engine