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Compound Detail

CHEMBL4301421

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C[C@@H](N[C@H]1CCN(c2ccc(C(=O)NCCO)cc2)C1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301421
Phase Preclinical
Structure Type MOL
InChI Key FXEKYDRPCMNVOX-NQIIRXRSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.49
ALogP
4
HBA
3
HBD
64.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O2
MW 403.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine