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Compound Detail

CHEMBL537322

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CCCCCNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NCCCCC)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL537322
Phase Preclinical
Structure Type MOL
InChI Key JJDUNDKQXPJHGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.7
MW (Da)
5.22
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H42N6
MW 462.69
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine