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Compound Detail

CHEMBL122887

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CCC1(CC)CC(=O)N(CCCCN2CCN(c3nsc4ccccc34)CC2)C(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122887
Phase Preclinical
Structure Type MOL
InChI Key WZYPWDYYXNYUJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
4.15
ALogP
6
HBA
0
HBD
56.8
PSA (Ų)
0.45
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 C24H34N4O2S
MW 442.63
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine