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Compound Detail

CHEMBL1208031

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O=C(O)Cc1ccc2c(c1)[C@@H]1CN(Cc3ccccc3)CC[C@@H]1N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208031
Phase Preclinical
Structure Type MOL
InChI Key IWNQCKRTLOEWCR-HKUYNNGSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.10
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.91
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 C20H22N2O2
MW 322.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine