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Compound Detail

CHEMBL150017

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COc1cc(Cc2c(N)nc(N)nc2N(C)C)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150017
Phase Preclinical
Structure Type MOL
InChI Key ICQGLMSFDOQLKR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
1.32
ALogP
8
HBA
2
HBD
108.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23N5O3
MW 333.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
6991695 10.1021/jm00179a012 Dihydrofolate reductase 1

Data from ChEMBL 36 via Core Engine