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Compound Detail

CHEMBL1199802

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CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199802
Phase Preclinical
Structure Type MOL
InChI Key MRNMCWDQIHUANA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
4.68
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.63
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 C26H37N3O3
MW 439.60
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine