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Compound Detail

CHEMBL4302037

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CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCC(C(=O)NCCCCCN)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302037
Phase Preclinical
Structure Type MOL
InChI Key IWZSHUTXIGHRDA-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

638.9
MW (Da)
5.96
ALogP
5
HBA
2
HBD
94.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H52N5O3+
MW 638.88
Aromatic Rings 2
Heavy Atoms 47
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine