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Compound Detail

CHEMBL1193883

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CCc1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193883
Phase Preclinical
Structure Type MOL
InChI Key JEVJEXOPWIYIHY-UGKGYDQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
2.82
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N6O
MW 392.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.37

Data from ChEMBL 36 via Core Engine