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Compound Detail

CHEMBL1178749

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CC[N+]1(CCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)Cc3cccc(OC(C)C)c3)C2)CCC2(CC1)NCCc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178749
Phase Preclinical
Structure Type MOL
InChI Key FLCSEULUIZGXOW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

663.8
MW (Da)
7.95
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H50Cl2N3O2+
MW 663.75
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine