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Compound Detail

CHEMBL3929283

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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)N[C@@H](C)C(=O)OC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3929283
Phase Preclinical
Structure Type MOL
InChI Key UYOWWQKMISANAE-CAOSSQGBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

557.5
MW (Da)
1.02
ALogP
12
HBA
4
HBD
201.8
PSA (Ų)
0.21
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 C22H36N7O8P
MW 557.55
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.06

Literature References

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

Data from ChEMBL 36 via Core Engine