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Compound Detail

CHEMBL1962802

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CC1(C)CCCN(CCNc2nc3ccccc3s2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962802
Phase Preclinical
Structure Type MOL
InChI Key XNQAOLLGZNOGET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
3.83
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23N3S
MW 289.45
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.81

Data from ChEMBL 36 via Core Engine