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Compound Detail

CHEMBL5076925

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CC(C(C)N1CC(=O)NC(=O)C1)N1CCNC(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5076925
Phase Preclinical
Structure Type MOL
InChI Key DARNFXCXELGQKU-UHFFFAOYSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
-1.85
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.59
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 C12H20N4O3
MW 268.32
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -0.36

Activity Summary

IC50 2 meas.
EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33750129 10.1021/acs.jmedchem.0c02157 Unchecked 2
33750129 10.1021/acs.jmedchem.0c02157 HL-60 2
33750129 10.1021/acs.jmedchem.0c02157 DNA topoisomerase 2-alpha 1
33750129 10.1021/acs.jmedchem.0c02157 DNA topoisomerase 2-beta 1
33750129 10.1021/acs.jmedchem.0c02157 No relevant target 1

Data from ChEMBL 36 via Core Engine