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Compound Detail

CHEMBL1617423

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COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617423
Phase Preclinical
Structure Type MOL
InChI Key YFXPCYDYMNVYEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

594.8
MW (Da)
4.66
ALogP
8
HBA
0
HBD
92.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N4O5S2
MW 594.76
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.85

Data from ChEMBL 36 via Core Engine