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Compound Detail

CHEMBL1188490

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c1ccc(-c2ccc(CNCCCCNCCCCN3CCNCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188490
Phase Preclinical
Structure Type MOL
InChI Key ZTCSLYFZBRCPLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.6
MW (Da)
3.50
ALogP
4
HBA
3
HBD
39.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38N4
MW 394.61
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine