UCSF

ZINC45319649

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 18 No

Popular Name: INCB 024360 INCB 024360

Find On: PubMed — Wikipedia — Google

CAS Number: 914471-09-3

Other Names:

INCB 024360-analog

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 1.8 -9.56 4 7 0 110 271.639 3 ↓
Hi High (pH 8-9.5) 1.40 1.21 -31.23 3 7 -1 112 270.631 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-5-E Indoleamine 2,3-dioxygenase 1 (cluster #5 Of 5), Eukaryotic Eukaryotes 46 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
I23O1_HUMAN P14902 Indoleamine 2,3-dioxygenase, Human 19 0.60 Binding ≤ 1μM
I23O1_MOUSE P28776 Indoleamine 2,3-dioxygenase 1, Mouse 1000 0.47 Binding ≤ 1μM
I23O1_HUMAN P14902 Indoleamine 2,3-dioxygenase, Human 19 0.60 Binding ≤ 10μM
I23O1_MOUSE P28776 Indoleamine 2,3-dioxygenase 1, Mouse 1000 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.