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Compound Detail

CHEMBL1191086

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NC1=Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191086
Phase Preclinical
Structure Type MOL
InChI Key XIFIFNLFBBRXNL-IEBWSBKVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

353.9
MW (Da)
4.56
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN3
MW 353.90
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine