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Compound Detail

CHEMBL1199936

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CC1CC(=O)N(Cc2cccc(CN3CCN(c4ccccc4OC(C)C)CC3)c2)C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199936
Phase Preclinical
Structure Type MOL
InChI Key OKLHVQWFAGJSBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
4.08
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.60
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 C27H35N3O3
MW 449.60
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine