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Compound Detail

CHEMBL1179774

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C=CC[N+]1(C)CCN(CCNC(=O)n2c(=O)n(C(C)C)c3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179774
Phase Preclinical
Structure Type MOL
InChI Key WHCIQGKZTZFPPT-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
1.89
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N5O2+
MW 386.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine