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Compound Detail

CHEMBL5498682

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C[n+]1c(/C=C/c2ccc3c(c2)c2ccccc2n3Cc2ccccc2)oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498682
Phase Preclinical
Structure Type MOL
InChI Key ADTXEXBFUSAJKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
6.58
ALogP
2
HBA
0
HBD
21.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H23N2O+
MW 415.52
Aromatic Rings 6
Heavy Atoms 32
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine