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Compound Detail

CHEMBL2219972

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COc1ccc(C[n+]2ccc(/C=C/C(=O)c3cc4cccc(OC)c4oc3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219972
Phase Preclinical
Structure Type MOL
InChI Key NRPFOQIIXRRGLP-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.04
ALogP
5
HBA
0
HBD
69.6
PSA (Ų)
0.19
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22NO5+
MW 428.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.13

Data from ChEMBL 36 via Core Engine