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Compound Detail

CHEMBL23353

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Nc1nc(N)c2c(CNc3ccccc3Oc3ccccc3)coc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23353
Phase Preclinical
Structure Type MOL
InChI Key GXOWALMMPBQPIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.79
ALogP
7
HBA
3
HBD
112.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O2
MW 347.38
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
9548816 10.1021/jm970537w Dihydrofolate reductase 2
9548816 10.1021/jm970537w Unchecked 2
9548816 10.1021/jm970537w Bifunctional dihydrofolate reductase-thymidylate synthase 1

Data from ChEMBL 36 via Core Engine