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Compound Detail

CHEMBL3139265

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Oc1ccc2c(c1)O[C@@H](CNCCN1CCN(c3ccc(OCCF)cc3)CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139265
Phase Preclinical
Structure Type MOL
InChI Key MSHUBKLFRWFTKI-HSZRJFAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
2.85
ALogP
6
HBA
2
HBD
57.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32FN3O3
MW 429.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine