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Compound Detail

CHEMBL3970033

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CC(C)OC(=O)[C@H](C)NP(=O)(CO[C@H]1CO[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C1)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3970033
Phase Preclinical
Structure Type MOL
InChI Key FVFXAILXEDWETP-NOYUSHFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

520.5
MW (Da)
2.17
ALogP
11
HBA
3
HBD
172.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N6O7P
MW 520.48
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
27748590 10.1021/acs.jmedchem.6b01260 NON-PROTEIN TARGET 6

Data from ChEMBL 36 via Core Engine