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Compound Detail

CHEMBL1187678

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CCCN(C)CCc1cnc(N2CCN(CCC)CC2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187678
Phase Preclinical
Structure Type MOL
InChI Key YBHDTZKGBFETMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.5
MW (Da)
2.56
ALogP
5
HBA
0
HBD
22.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H30N4S
MW 310.51
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -2.00

Data from ChEMBL 36 via Core Engine