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Compound Detail

CHEMBL1181082

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CCCCCCCCCCCCCCOc1ccc(C(=O)NCc2cccc[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181082
Phase Preclinical
Structure Type MOL
InChI Key LKYIIADCSRTDCM-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.7
MW (Da)
6.52
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H43N2O2+
MW 439.66
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine