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Compound Detail

CHEMBL4163550

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COc1ccc(C(NC(=O)c2cnc(-c3cccnn3)nc2O)c2ccc([PH](=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163550
Phase Preclinical
Structure Type MOL
InChI Key MKCBPSZOEKPNPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
2.26
ALogP
8
HBA
3
HBD
147.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N5O5P
MW 477.42
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
29712435 10.1021/acs.jmedchem.7b01686 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine