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Compound Detail

CHEMBL1190415

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O=C(N[C@H]1CN2CCC1CC2)c1c2n(c3ccccc13)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190415
Phase Preclinical
Structure Type MOL
InChI Key YVKPKOGRWSECSG-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
2.80
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O
MW 323.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine