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Compound Detail

CHEMBL1789735

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CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=N/NC(=S)NC(=S)N/N=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789735
Phase Preclinical
Structure Type MOL
InChI Key CIDVOJHGDSQGIS-ZCWZHUEFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

698.1
MW (Da)
11.36
ALogP
4
HBA
3
HBD
60.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H59N5S2
MW 698.10
Aromatic Rings 0
Heavy Atoms 49
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine