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Compound Detail

CHEMBL3590658

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C[n+]1c(C#Cc2ccc(-c3ccc(O)cc3)cc2)cccc1C#Cc1ccc(-c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3590658
Phase Preclinical
Structure Type MOL
InChI Key FALQKBODBYJSPD-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
6.06
ALogP
2
HBA
2
HBD
44.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H24NO2+
MW 478.57
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine