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Compound Detail

CHEMBL440679

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CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440679
Phase Preclinical
Structure Type MOL
InChI Key QOBSQVPUXRQIEE-JBXJJHIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

786.7
MW (Da)
6.39
ALogP
7
HBA
1
HBD
94.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H46Cl4N5O4S+
MW 786.67
Aromatic Rings 2
Heavy Atoms 50
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine