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Compound Detail

CHEMBL3991406

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O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCNC4CCN(Cc5ccccc5)CC4)CC3)cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991406
Phase Preclinical
Structure Type MOL
InChI Key LBIUELMDDBHRGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

585.8
MW (Da)
5.03
ALogP
7
HBA
1
HBD
60.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H43N5O2S
MW 585.82
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.29

Data from ChEMBL 36 via Core Engine