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Compound Detail

CHEMBL1739636

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CCCCCCCC[n+]1c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cn2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739636
Phase Preclinical
Structure Type MOL
InChI Key HJXBGVZCEMFRIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
6.22
ALogP
4
HBA
0
HBD
64.3
PSA (Ų)
0.13
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 C26H29N4O2+
MW 429.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine