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Compound Detail

CHEMBL366314

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COCCOc1nc(N(C)Cc2ccccc2)c2nc(OCCOC)nc(N(C)Cc3ccccc3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366314
Phase Preclinical
Structure Type MOL
InChI Key LYTZBYMGTWYZHI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

518.6
MW (Da)
3.74
ALogP
10
HBA
0
HBD
95.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N6O4
MW 518.62
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 3800.0 nM 5.42 Inhibition of [3H]thymidine uptake in L1210 cells 15369395

Literature References

PubMed DOI Target Context # Activities
15369395 10.1021/jm040772w L1210 3

Data from ChEMBL 36 via Core Engine