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Compound Detail

CHEMBL581731

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

Basic Information

ChEMBL ID CHEMBL581731
Phase Preclinical
Structure Type MOL
InChI Key LSGWLCDSJJRNHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

603.0
MW (Da)
9.12
ALogP
4
HBA
4
HBD
78.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H62N6
MW 602.96
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine