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Compound Detail

CHEMBL1189863

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c1ccc2c(C[C@H]3CCCN3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189863
Phase Preclinical
Structure Type MOL
InChI Key QDEZFSSAEVJNDS-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
2.46
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.77
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 C13H16N2
MW 200.28
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine