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Compound Detail

CHEMBL4650657

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C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1F)c1c(Cl)ccc(F)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650657
Phase Preclinical
Structure Type MOL
InChI Key VQKAFPGGDMKUMM-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.3
MW (Da)
5.59
ALogP
5
HBA
1
HBD
52.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20Cl2F2N4O
MW 453.32
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine