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Compound Detail

CHEMBL1193146

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N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2[N+](=O)[O-])C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193146
Phase Preclinical
Structure Type MOL
InChI Key DQMVLUXFRLQZJH-ZWNOBZJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
0.04
ALogP
6
HBA
3
HBD
147.0
PSA (Ų)
0.51
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 C13H15N3O6
MW 309.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine