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Compound Detail

CHEMBL4117170

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Cc1ccc2[nH]c3c(c2c1)CCC(NCc1ccccc1)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117170
Phase Preclinical
Structure Type MOL
InChI Key RWURWKFGBWVGNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
4.12
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2
MW 290.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine