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Compound Detail

CHEMBL1186006

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COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(Cn5ccnc5C)CC4)cc2)CC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186006
Phase Preclinical
Structure Type MOL
InChI Key IBWWTBSONHRQQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

531.6
MW (Da)
3.72
ALogP
8
HBA
0
HBD
99.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N5O4S
MW 531.64
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine