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Compound Detail

CHEMBL1358011

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COc1cc(OC)c2c(-c3cccc(-c4ccc(NC(C)=O)cc4)c3)cc(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1358011
Phase Preclinical
Structure Type MOL
InChI Key GOWHQNKQQLXRLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
5.10
ALogP
5
HBA
1
HBD
77.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO5
MW 415.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine