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Compound Detail

CHEMBL1184780

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CC[n+]1ccccc1/C=c1\s/c(=C2/Sc3ccccc3N2C)c(=O)n1CCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184780
Phase Preclinical
Structure Type MOL
InChI Key PCDOVPNRNATELS-ZNTNEXAZSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
2.61
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N3O3S2+
MW 468.62
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine