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Compound Detail

CHEMBL1190689

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CC(=N)N1CCC(Oc2ccc(OCc3nc4cc(C(=N)N)ccc4n3CC(=O)NCc3ccc(Cl)c(Cl)c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190689
Phase Preclinical
Structure Type MOL
InChI Key ULUOQAKLSOZPPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

622.6
MW (Da)
5.36
ALogP
7
HBA
4
HBD
142.3
PSA (Ų)
0.14
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 C31H33Cl2N7O3
MW 622.56
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine