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Compound Detail

CHEMBL3940478

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CCCOC(=O)[C@H](Cc1ccccc1)NP(=O)(CO[C@H]1CO[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C1)N[C@@H](Cc1ccccc1)C(=O)OCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3940478
Phase Preclinical
Structure Type MOL
InChI Key AHBDGABFKHLTBV-WXIAYYLYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

709.7
MW (Da)
3.46
ALogP
12
HBA
4
HBD
201.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H44N7O8P
MW 709.74
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness 0.04

Literature References

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

Data from ChEMBL 36 via Core Engine