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Compound Detail

CHEMBL2219543

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C[n+]1c2ccc(Cl)cc2cc2[n-]c3c([N+](=O)[O-])cccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219543
Phase Preclinical
Structure Type MOL
InChI Key WNLQPXXNGMTYCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.7
MW (Da)
3.49
ALogP
2
HBA
0
HBD
61.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10ClN3O2
MW 311.73
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine