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Compound Detail

CHEMBL1371329

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O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccnc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1371329
Phase Preclinical
Structure Type MOL
InChI Key YUAIFVXBZCIYFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.60
ALogP
4
HBA
0
HBD
62.7
PSA (Ų)
0.70
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 C22H21N3O3
MW 375.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.33

Data from ChEMBL 36 via Core Engine