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Compound Detail

CHEMBL3819713

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OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCCc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819713
Phase Preclinical
Structure Type MOL
InChI Key SJEXSMOVRPPLBZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.0
MW (Da)
5.79
ALogP
4
HBA
1
HBD
36.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27ClN2OS
MW 427.01
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine