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Compound Detail

CHEMBL1178968

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c1ccc2c(c1)C1CC(c3ccoc3)(c3ccoc3)C2c2n(Cc3ccc4ccccc4c3)cc[n+]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178968
Phase Preclinical
Structure Type MOL
InChI Key KLAGLEAYALRQRI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
6.59
ALogP
3
HBA
0
HBD
35.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H25N2O2+
MW 469.56
Aromatic Rings 6
Heavy Atoms 36
NP-Likeness 0.22

Data from ChEMBL 36 via Core Engine