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Compound Detail

CHEMBL3782112

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CN1CCC(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@H]4N)cc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3782112
Phase Preclinical
Structure Type MOL
InChI Key NSWDBAURHGVFRJ-LEWJYISDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
3.56
ALogP
3
HBA
2
HBD
58.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3O
MW 349.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine