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Compound Detail

CHEMBL3819714

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O=C(CCCCN1C2CCC1CC(O)(c1ccc(Cl)cc1)C2)c1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3819714
Phase Preclinical
Structure Type MOL
InChI Key SGGMEYGWAJEGIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.0
MW (Da)
5.82
ALogP
5
HBA
1
HBD
53.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN2O2S
MW 455.02
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine