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Compound Detail

CHEMBL1962843

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CC(C)(CO)[C@@H]1C[C@H](N)c2cc([N+](=O)[O-])ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962843
Phase Preclinical
Structure Type MOL
InChI Key FVTXUZQRWABLNJ-JQWIXIFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
1.80
ALogP
5
HBA
3
HBD
101.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19N3O3
MW 265.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine