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Compound Detail

CHEMBL1617365

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Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617365
Phase Preclinical
Structure Type MOL
InChI Key ORHQABFVUQKVIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

528.7
MW (Da)
5.08
ALogP
6
HBA
0
HBD
73.8
PSA (Ų)
0.41
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36N4O3S2
MW 528.74
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -2.25

Data from ChEMBL 36 via Core Engine