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Compound Detail

CHEMBL4062145

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Cc1ccc(-c2sc3ncnc4c3c2COP(=O)(O)CCC4)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4062145
Phase Preclinical
Structure Type MOL
InChI Key IVXGOPSEQQBAEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
4.31
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N2O3PS
MW 360.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
28208018 10.1021/acs.jmedchem.6b01888 Farnesyl pyrophosphate synthase 1

Data from ChEMBL 36 via Core Engine