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Compound Detail

CHEMBL3828792

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COc1ccc(/C=C/CN(C)Cc2ccc3c(c2)CCCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828792
Phase Preclinical
Structure Type MOL
InChI Key QNAZTEZDXHGTJA-AATRIKPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

321.5
MW (Da)
4.72
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO
MW 321.46
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine