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Compound Detail

CHEMBL1199953

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CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199953
Phase Preclinical
Structure Type MOL
InChI Key ATCDHNZWZSXBNA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.6
MW (Da)
4.29
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.66
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 C25H35N3O3
MW 425.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine