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Compound Detail

CHEMBL1185569

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CCC1=C(C)c2nc1cc1[nH]c(c(C)c1CC)c(-c1cc[n+](C)cc1)c1[nH]c(cc3nc(c2-c2cc[n+](C)cc2)C(C)=C3CC)c(CC)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185569
Phase Preclinical
Structure Type MOL
InChI Key SXDCLCFEBCKEBK-OBEARYFCSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

662.9
MW (Da)
9.72
ALogP
2
HBA
2
HBD
65.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H50N6+2
MW 662.93
Aromatic Rings 5
Heavy Atoms 50
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine