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Compound Detail

CHEMBL4301367

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

Basic Information

ChEMBL ID CHEMBL4301367
Phase Preclinical
Structure Type MOL
InChI Key SNCWKXJQMFIARE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
3.65
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H38N6
MW 434.63
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine