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Compound Detail

CHEMBL5864470

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Cc1cc(C)c2[nH]ccc2c1CN1CCC(O)CC1c1ccc(C(N)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5864470
Phase Preclinical
Structure Type MOL
InChI Key KGWKKJNMHAXSDP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
3.58
ALogP
3
HBA
3
HBD
82.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N3O2
MW 377.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 9.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
 IC50 9.64 9.64 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor B IC50 = 0.23 nM 9.64 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -

Data from ChEMBL 36 via Core Engine