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Compound Detail

CHEMBL6060716

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Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6060716
Phase Preclinical
Structure Type MOL
InChI Key IDAQIBNNEOTNPN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
5.21
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O2
MW 362.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.47

Activity Summary

IC50 2 meas. best 9.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Complement factor B
CHEMBL5731
 IC50 9.08 9.08 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Complement factor B IC50 = 0.84 nM 9.08 Human Complement Factor B TR-FRET Assay: CVF-Bb complex prepared from purified c... -

Data from ChEMBL 36 via Core Engine