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Compound Detail

CHEMBL3185831

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O=C(Nc1cc(N2CCCCC2)ncn1)c1ccsc1.O=CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3185831
Phase Preclinical
Structure Type MOL
InChI Key MDCDUHDGWUHOPN-UHFFFAOYSA-N
Parent Compound CHEMBL3301769
Active Moiety CHEMBL3301769
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
2.78
ALogP
5
HBA
1
HBD
58.1
PSA (Ų)
0.94
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 C15H18N4O3S
MW 334.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.73

Data from ChEMBL 36 via Core Engine