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Compound Detail

CHEMBL1199900

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CC(C)Oc1ccccc1N1CCN(Cc2cccc(CNC(=O)c3ccccc3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199900
Phase Preclinical
Structure Type MOL
InChI Key LLHWJYJDXPFFRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
4.73
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.55
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 C28H33N3O2
MW 443.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine