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Compound Detail

CHEMBL1180853

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CCCCCCCCCCCCCCOc1ccc(CCC(=O)Nc2cccc(C[n+]3csc(C)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180853
Phase Preclinical
Structure Type MOL
InChI Key VAISKUJJCDAWMH-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

549.9
MW (Da)
9.04
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H49N2O2S+
MW 549.85
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine