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Compound Detail

CHEMBL3669198

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CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O

Basic Information

ChEMBL ID CHEMBL3669198
Phase Preclinical
Structure Type MOL
InChI Key HHZMQBXSAZUBTN-GJZGRUSLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.5
MW (Da)
2.16
ALogP
10
HBA
5
HBD
231.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O11
MW 534.48
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.29

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine