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Compound Detail

CHEMBL1207261

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O=C(O)C1=CS[C@@H]2/C(=C\c3cc4c(s3)CCN(c3cc5c(s3)CCOC5)C4)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207261
Phase Preclinical
Structure Type MOL
InChI Key KIBIIJXINDFXSV-BHBFUXRTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
3.67
ALogP
7
HBA
1
HBD
70.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O4S3
MW 458.59
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine