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Compound Detail

CHEMBL4300147

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CCCCNC(=N)c1ccc(CN2CCN(Cc3ccc(C(=N)NCCCC)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300147
Phase Preclinical
Structure Type MOL
InChI Key KWOZZAJLNWSCNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.7
MW (Da)
4.43
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.21
QED
0
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 -0.54

Data from ChEMBL 36 via Core Engine