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Compound Detail

CHEMBL5422337

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O=C(c1cc2ccccc2[nH]1)N1CCC(CCCCNC(=S)Nc2cccnc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422337
Phase Preclinical
Structure Type MOL
InChI Key DOIAHOQDZAGLDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
4.57
ALogP
3
HBA
3
HBD
73.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5OS
MW 435.60
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
36787658 10.1016/j.ejmech.2023.115170 MIA PaCa-2 1

Data from ChEMBL 36 via Core Engine