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Compound Detail

CHEMBL4650878

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C[C@H](Oc1cncc(-c2cnn(C3CCNCC3)c2)c1)c1c(Cl)ccc(F)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650878
Phase Preclinical
Structure Type MOL
InChI Key IMMWPDHMKJNXEV-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.3
MW (Da)
5.46
ALogP
5
HBA
1
HBD
52.0
PSA (Ų)
0.54
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 C21H21Cl2FN4O
MW 435.33
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine