UCSF

ZINC02149990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 17 Yes

Popular Name: H-9 dihydrochloride H-9 dihydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 116700-36-8 , 116970-50-4

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) -0.12 -0.55 -55.51 4 5 1 87 252.319 4 ↓
Hi High (pH 8-9.5) -0.12 -0.94 -12.15 3 5 0 85 251.311 4 ↓

Vendor Notes

Note Type Comments Provided By
Indications protein kinase inhibitor KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KAPCA-2-E CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #2 Of 4), Eukaryotic Eukaryotes 2000 0.47 Binding ≤ 10μM
KAPCB-2-E CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 2000 0.47 Binding ≤ 10μM
KAPCG-1-E CAMP-dependent Protein Kinase, Gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.47 Binding ≤ 10μM
KPCA-6-E Protein Kinase C Alpha (cluster #6 Of 6), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCB-3-E Protein Kinase C Beta (cluster #3 Of 4), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCD-4-E Protein Kinase C Delta (cluster #4 Of 4), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCD1-2-E Protein Kinase C Mu (cluster #2 Of 3), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCD3-2-E Protein Kinase C Nu (cluster #2 Of 3), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCE-4-E Protein Kinase C Epsilon (cluster #4 Of 5), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCG-2-E Protein Kinase C Gamma (cluster #2 Of 4), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCI-2-E Protein Kinase C Iota (cluster #2 Of 3), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCL-3-E Protein Kinase C Eta (cluster #3 Of 4), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCT-1-E Protein Kinase C Theta (cluster #1 Of 3), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
KPCZ-4-E Protein Kinase C Zeta (cluster #4 Of 5), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
P90584-2-E Protein Kinase Pfmrk (cluster #2 Of 2), Eukaryotic Eukaryotes 700 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P90584_PLAFA P90584 Protein Kinase Pfmrk, Plafa 700 0.51 Binding ≤ 1μM
KAPCA_HUMAN P17612 CAMP-dependent Protein Kinase Alpha-catalytic Subunit, Human 2000 0.47 Binding ≤ 10μM
KAPCB_HUMAN P22694 CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit, Human 2000 0.47 Binding ≤ 10μM
KAPCG_HUMAN P22612 CAMP-dependent Protein Kinase, Gamma Catalytic Subunit, Human 2000 0.47 Binding ≤ 10μM
KPCA_HUMAN P17252 Protein Kinase C Alpha, Human 7000 0.42 Binding ≤ 10μM
KPCB_HUMAN P05771 Protein Kinase C Beta, Human 7000 0.42 Binding ≤ 10μM
KPCD_HUMAN Q05655 Protein Kinase C Delta, Human 7000 0.42 Binding ≤ 10μM
KPCE_HUMAN Q02156 Protein Kinase C Epsilon, Human 7000 0.42 Binding ≤ 10μM
KPCL_HUMAN P24723 Protein Kinase C Eta, Human 7000 0.42 Binding ≤ 10μM
KPCG_HUMAN P05129 Protein Kinase C Gamma, Human 7000 0.42 Binding ≤ 10μM
KPCI_HUMAN P41743 Protein Kinase C Iota, Human 7000 0.42 Binding ≤ 10μM
KPCD1_HUMAN Q15139 Protein Kinase C Mu, Human 7000 0.42 Binding ≤ 10μM
KPCD3_HUMAN O94806 Protein Kinase C Nu, Human 7000 0.42 Binding ≤ 10μM
KPCT_HUMAN Q04759 Protein Kinase C Theta, Human 7000 0.42 Binding ≤ 10μM
KPCZ_HUMAN Q05513 Protein Kinase C Zeta, Human 7000 0.42 Binding ≤ 10μM
P90584_PLAFA P90584 Protein Kinase Pfmrk, Plafa 700 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Activation of NF-kappaB in B cells
Apoptotic cleavage of cellular proteins
Ca2+ pathway
Calmodulin induced events
CREB phosphorylation through the activation of Adenylate Cyclase
DAG and IP3 signaling
DARPP-32 events
Depolymerisation of the Nuclear Lamina
Disinhibition of SNARE formation
Downstream TCR signaling
Effects of PIP2 hydrolysis
EGFR Transactivation by Gastrin
Factors involved in megakaryocyte development and platelet production
FCERI mediated NF-kB activation
G alpha (z) signalling events
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
Gluconeogenesis
GPVI-mediated activation cascade
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis
HuR stabilizes mRNA
Inactivation, recovery and regulation of the phototransduction cascade
Interferon gamma signaling
Interleukin-3, 5 and GM-CSF signaling
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
Netrin-1 signaling
p75NTR recruits signalling complexes
PKA activation
PKA activation in glucagon signalling
PKA-mediated phosphorylation of CREB
PKA-mediated phosphorylation of key metabolic factors
Rap1 signalling
Recruitment of mitotic centrosome proteins and complexes
Regulation of insulin secretion
Regulation of KIT signaling
Regulation of PLK1 Activity at G2/M Transition
Response to elevated platelet cytosolic Ca2+
Role of phospholipids in phagocytosis
Signaling by SCF-KIT
Sphingolipid de novo biosynthesis
Syndecan interactions
TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition)
Tight junction interactions
Trafficking of GluR2-containing AMPA receptors
Vasopressin regulates renal water homeostasis via Aquaporins
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation
WNT5A-dependent internalization of FZD4

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