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Compound Detail

CHEMBL1194036

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O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Nc2cccnc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194036
Phase Preclinical
Structure Type MOL
InChI Key ZJKWHHHHZUOJLU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.71
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O
MW 385.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine