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Compound Detail

CHEMBL1617545

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Cc1ccc2nc(N(CCCN(C)C)C(=O)CCc3ccccc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617545
Phase Preclinical
Structure Type MOL
InChI Key NRSZLJFVHLGBKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.6
MW (Da)
4.52
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.58
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 C22H27N3OS
MW 381.55
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.96

Data from ChEMBL 36 via Core Engine