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Compound Detail

CHEMBL1183245

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CCn1c(=O)/c(=C/C=C2\SC3=C(CCc4ccccc43)N2C)s/c1=C\c1oc2ccc3ccccc3c2[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183245
Phase Preclinical
Structure Type MOL
InChI Key UDURMMWHSSCAHZ-ZDGIKHLZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

564.8
MW (Da)
5.58
ALogP
6
HBA
0
HBD
42.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H30N3O2S2+
MW 564.76
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine