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Compound Detail

CHEMBL537725

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

Basic Information

ChEMBL ID CHEMBL537725
Phase Preclinical
Structure Type MOL
InChI Key JWKZYRPIGKYDRR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

546.9
MW (Da)
7.56
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.09
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H54N6
MW 546.85
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.38

Data from ChEMBL 36 via Core Engine