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Compound Detail

CHEMBL4460301

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Cc1cc2ncn(CC(C(=O)O)P(=O)(O)O)c2cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460301
Phase Preclinical
Structure Type MOL
InChI Key KLWGAEZHEYXBGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
1.28
ALogP
4
HBA
3
HBD
112.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N2O5P
MW 298.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
31699606 10.1016/j.bmcl.2019.126757 Geranylgeranyl transferase type-2 3
31699606 10.1016/j.bmcl.2019.126757 Farnesyl pyrophosphate synthase 3
31699606 10.1016/j.bmcl.2019.126757 Geranylgeranyl pyrophosphate synthase 1
31699606 10.1016/j.bmcl.2019.126757 Protein farnesyltransferase 1
31699606 10.1016/j.bmcl.2019.126757 geranylgeranyltransferase type-I 1

Data from ChEMBL 36 via Core Engine