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Compound Detail

CHEMBL3299048

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Cc1ccc(-c2cc3c(NCCP(=O)(O)O)ncnc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3299048
Phase Preclinical
Structure Type MOL
InChI Key XHIXCOXISNYXTB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.26
ALogP
5
HBA
3
HBD
95.3
PSA (Ų)
0.61
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 C15H16N3O3PS
MW 349.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
24911527 10.1021/jm500629e Farnesyl pyrophosphate synthase 3
24911527 10.1021/jm500629e ADMET 1

Data from ChEMBL 36 via Core Engine