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Compound Detail

CHEMBL1185742

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CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccc(N/C(S)=N/c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185742
Phase Preclinical
Structure Type MOL
InChI Key XJOLOTRJMYOCGB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

795.8
MW (Da)
9.14
ALogP
7
HBA
4
HBD
135.7
PSA (Ų)
0.05
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 C42H36Cl2N4O6S
MW 795.75
Aromatic Rings 4
Heavy Atoms 55
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine