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Compound Detail

CHEMBL3978114

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CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(CC(F)(F)F)C5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3978114
Phase Preclinical
Structure Type MOL
InChI Key HKERRJSKGXXZRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

921.4
MW (Da)
8.87
ALogP
11
HBA
3
HBD
166.0
PSA (Ų)
0.08
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H48ClF3N8O6S
MW 921.44
Aromatic Rings 5
Heavy Atoms 64
NP-Likeness -1.26

Data from ChEMBL 36 via Core Engine