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Compound Detail

CHEMBL1183288

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CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(Cc4ccccc4)CCC4(CC3)NCCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183288
Phase Preclinical
Structure Type MOL
InChI Key DLGPWOJRFLRLLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

725.8
MW (Da)
9.13
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H52Cl2N3O2+
MW 725.83
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine