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Compound Detail

CHEMBL1188085

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OC(CNc1ccc(Cl)c(Cl)c1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188085
Phase Preclinical
Structure Type MOL
InChI Key YXZQRYUXEJHIIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.5
MW (Da)
6.27
ALogP
4
HBA
2
HBD
38.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33Cl2F2N3O
MW 548.50
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine