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Compound Detail

CHEMBL3819734

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OC1(c2ccc(Cl)cc2)CCN(CCCc2nc3ccccc3s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819734
Phase Preclinical
Structure Type MOL
InChI Key MAQDCPYEDSDANP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.9
MW (Da)
4.87
ALogP
4
HBA
1
HBD
36.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClN2OS
MW 386.95
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.55

Data from ChEMBL 36 via Core Engine