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Compound Detail

CHEMBL1196455

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CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196455
Phase Preclinical
Structure Type MOL
InChI Key KSJFBUQQDKCVSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
4.13
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H41N3O3
MW 455.64
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine