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Compound Detail

CHEMBL3545652

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CC(Oc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545652
Phase Preclinical
Structure Type MOL
InChI Key RRAOAAFONKMTKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
5.27
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23NO3
MW 385.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine