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Compound Detail

CHEMBL3669182

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CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3669182
Phase Preclinical
Structure Type MOL
InChI Key WKOHDYUJJUVBQB-VIFPVBQESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
1.82
ALogP
6
HBA
3
HBD
139.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O7
MW 326.31
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.50

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine