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Compound Detail

CHEMBL3968934

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CC(C)OC(=O)[C@H](C)NP(=O)(CO[C@H]1CO[C@@H](n2ccc(N)nc2=O)C1)N[C@@H](C)C(=O)OC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3968934
Phase Preclinical
Structure Type MOL
InChI Key FQFAGBBPRWHPRN-LISAXSMJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
1.14
ALogP
11
HBA
3
HBD
173.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H36N5O8P
MW 517.52
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 0.22

Literature References

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

Data from ChEMBL 36 via Core Engine